(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonyl-1,4-diazepan-1-yl]methanone Openeye Name: [4-[2-methyl-5-(1-piperidylsulfonyl)benzoyl]-1,4-diazepan-1-yl]-[2-methyl-5-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [2-methyl-5-(1-piperidinylsulfonyl)phenyl]-[4-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)-1,4-diazepan-1-yl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(2-methyl-5-piperidinosulfonyl-benzoyl)-1,4-diazepan-1-yl]-(2-methyl-5-piperidinosulfonyl-phenyl)methanone Formula: C31H42N4O6S2 MolecularWeight: 630.81838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCCN(CC3)C(=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCCN(CC3)C(=O)C4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)C

InChI

InChI=1S/C31H42N4O6S2/c1-24-10-12-26(42(38,39)34-16-5-3-6-17-34)22-28(24)30(36)32-14-9-15-33(21-20-32)31(37)29-23-27(13-11-25(29)2)43(40,41)35-18-7-4-8-19-35/h10-13,22-23H,3-9,14-21H2,1-2H3