[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(4-thiophen-2-ylcarbonylpiperazin-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(4-thiophen-2-ylcarbonylpiperazin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(2-thenoyl)piperazino]methanone Formula: C22H26ClN3O4S2 MolecularWeight: 496.04254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CS4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C22H26ClN3O4S2/c23-18-8-7-17(16-20(18)32(29,30)26-9-3-1-2-4-10-26)21(27)24-11-13-25(14-12-24)22(28)19-6-5-15-31-19/h5-8,15-16H,1-4,9-14H2