N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-azepan-3-yl]naphthalene-2-sulfonamide

Systemtic Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxidanylidene-azepan-3-yl]naphthalene-2-sulfonamide Openeye Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-azepan-3-yl]naphthalene-2-sulfonamide CAS Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxo-3-azepanyl]-2-naphthalenesulfonamide IUPAC Name: N-[(3S)-1-[(3-cyanophenyl)methyl]-2-oxoazepan-3-yl]naphthalene-2-sulfonamide Traditional Name: N-[(3S)-1-(3-cyanobenzyl)-2-keto-azepan-3-yl]naphthalene-2-sulfonamide Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H23N3O3S/c25-16-18-6-5-7-19(14-18)17-27-13-4-3-10-23(24(27)28)26-31(29,30)22-12-11-20-8-1-2-9-21(20)15-22/h1-2,5-9,11-12,14-15,23,26H,3-4,10,13,17H2/t23-/m0/s1