[2-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-4-piperidin-1-ylsulfonyl-phenyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]-4-piperidin-1-ylsulfonyl-phenyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-4-(1-piperidylsulfonyl)phenyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-4-(1-piperidinylsulfonyl)phenyl] ester IUPAC Name: [2-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]-4-piperidin-1-ylsulfonylphenyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]-4-piperidinosulfonyl-phenyl] ester Formula: C37H44Cl2N4O9S3 MolecularWeight: 855.86766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)OC(=O)C5=CC(=C(C=C5)Cl)S(=O)(=O)N6CCCCCC6)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)OC(=O)C5=CC(=C(C=C5)Cl)S(=O)(=O)N6CCCCCC6)Cl

InChI

InChI=1S/C37H44Cl2N4O9S3/c38-30-15-12-27(24-34(30)54(48,49)42-20-6-1-2-7-21-42)36(44)40-32-26-29(53(46,47)41-18-10-5-11-19-41)14-17-33(32)52-37(45)28-13-16-31(39)35(25-28)55(50,51)43-22-8-3-4-9-23-43/h12-17,24-26H,1-11,18-23H2,(H,40,44)