N-methyl-4-[(4-methyl-2-pyrrolidin-1-yl-pentyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-[(4-methyl-2-pyrrolidin-1-yl-pentyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[(4-methyl-2-pyrrolidin-1-yl-pentyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[[4-methyl-2-(1-pyrrolidinyl)pentyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[(4-methyl-2-pyrrolidin-1-ylpentyl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[(4-methyl-2-pyrrolidino-pentyl)amino]-3-nitro-benzenesulfonamide Formula: C17H28N4O4S MolecularWeight: 384.49362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])N2CCCC2

Isomeric SMILES

CC(C)CC(CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])N2CCCC2

InChI

InChI=1S/C17H28N4O4S/c1-13(2)10-14(20-8-4-5-9-20)12-19-16-7-6-15(26(24,25)18-3)11-17(16)21(22)23/h6-7,11,13-14,18-19H,4-5,8-10,12H2,1-3H3