N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-butan-2-ylphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(4-butan-2-ylphenyl)-3-nitro-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-3-nitro-N-(4-sec-butylphenyl)benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(4-butan-2-ylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-butan-2-ylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-3-nitro-N-(4-sec-butylphenyl)benzenesulfonamide Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H31N3O5S/c1-3-19(2)20-11-13-21(14-12-20)26(18-24(28)25-15-6-4-5-7-16-25)33(31,32)23-10-8-9-22(17-23)27(29)30/h8-14,17,19H,3-7,15-16,18H2,1-2H3