2-[(3-nitrophenyl)-(phenylsulfonyl)amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[(3-nitrophenyl)-(phenylsulfonyl)amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-(3-pyrrolidin-1-ylpropyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[3-(1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(3-pyrrolidin-1-ylpropyl)acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-(3-pyrrolidinopropyl)acetamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O5S/c26-21(22-12-7-15-23-13-4-5-14-23)17-24(18-8-6-9-19(16-18)25(27)28)31(29,30)20-10-2-1-3-11-20/h1-3,6,8-11,16H,4-5,7,12-15,17H2,(H,22,26)