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

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-3-nitro-4-(1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-3-nitro-4-pyrrolidino-benzenesulfonamide Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CNS(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CNS(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5S/c23-18(21-11-3-1-2-4-12-21)14-19-28(26,27)15-7-8-16(17(13-15)22(24)25)20-9-5-6-10-20/h7-8,13,19H,1-6,9-12,14H2