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

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C21H27N3O5S3 MolecularWeight: 497.65118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S3/c25-21(22-12-14-24(15-13-22)32(28,29)20-9-6-16-30-20)18-7-5-8-19(17-18)31(26,27)23-10-3-1-2-4-11-23/h5-9,16-17H,1-4,10-15H2