4-[[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-propyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[3-[2-(4-ethoxyphenyl)-1-pyrrolidinyl]-3-oxopropyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[3-keto-3-(2-p-phenetylpyrrolidino)propyl]amino]-3-nitro-benzenesulfonamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2C(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O6S/c1-2-31-16-7-5-15(6-8-16)19-4-3-13-24(19)21(26)11-12-23-18-10-9-17(32(22,29)30)14-20(18)25(27)28/h5-10,14,19,23H,2-4,11-13H2,1H3,(H2,22,29,30)