N-[(3S)-2-oxidanylideneazepan-3-yl]-4-(phenylsulfonyl)thiophene-2-sulfonamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-4-(phenylsulfonyl)thiophene-2-sulfonamide Openeye Name: 4-(benzenesulfonyl)-N-[(3S)-2-oxoazepan-3-yl]thiophene-2-sulfonamide CAS Name: 4-(benzenesulfonyl)-N-[(3S)-2-oxo-3-azepanyl]-2-thiophenesulfonamide IUPAC Name: 4-(benzenesulfonyl)-N-[(3S)-2-oxoazepan-3-yl]thiophene-2-sulfonamide Traditional Name: 4-besyl-N-[(3S)-2-ketoazepan-3-yl]thiophene-2-sulfonamide Formula: C16H18N2O5S3 MolecularWeight: 414.51952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NS(=O)(=O)C2=CC(=CS2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NS(=O)(=O)C2=CC(=CS2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H18N2O5S3/c19-16-14(8-4-5-9-17-16)18-26(22,23)15-10-13(11-24-15)25(20,21)12-6-2-1-3-7-12/h1-3,6-7,10-11,14,18H,4-5,8-9H2,(H,17,19)/t14-/m0/s1