4-(azepan-1-yl)-3-nitro-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-(phenylmethyl)benzenesulfonamide Openeye Name: 4-(azepan-1-yl)-N-benzyl-3-nitro-benzenesulfonamide CAS Name: 4-(1-azepanyl)-3-nitro-N-(phenylmethyl)benzenesulfonamide IUPAC Name: 4-(azepan-1-yl)-N-benzyl-3-nitrobenzenesulfonamide Traditional Name: 4-(azepan-1-yl)-N-benzyl-3-nitro-benzenesulfonamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c23-22(24)19-14-17(10-11-18(19)21-12-6-1-2-7-13-21)27(25,26)20-15-16-8-4-3-5-9-16/h3-5,8-11,14,20H,1-2,6-7,12-13,15H2