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

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-thiophen-2-ylcarbonylpiperazin-1-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-thenoyl)piperazino]methanone Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S2/c26-21(23-13-15-24(16-14-23)22(27)20-6-5-17-30-20)18-7-9-19(10-8-18)31(28,29)25-11-3-1-2-4-12-25/h5-10,17H,1-4,11-16H2