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

Systemtic Name: 4-[(4-methyl-2-pyrrolidin-1-yl-pentyl)amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[(4-methyl-2-pyrrolidin-1-yl-pentyl)amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[4-methyl-2-(1-pyrrolidinyl)pentyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4-methyl-2-pyrrolidin-1-ylpentyl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[(4-methyl-2-pyrrolidino-pentyl)amino]-3-nitro-benzenesulfonamide Formula: C16H26N4O4S MolecularWeight: 370.46704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O4S/c1-12(2)9-13(19-7-3-4-8-19)11-18-15-6-5-14(25(17,23)24)10-16(15)20(21)22/h5-6,10,12-13,18H,3-4,7-9,11H2,1-2H3,(H2,17,23,24)