N,N-diethyl-3-nitro-4-(4-pyrrolidin-1-ylcarbonylpiperidin-1-yl)benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-(4-pyrrolidin-1-ylcarbonylpiperidin-1-yl)benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[4-(pyrrolidine-1-carbonyl)-1-piperidyl]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperidino]benzenesulfonamide Formula: C20H30N4O5S MolecularWeight: 438.541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O5S/c1-3-23(4-2)30(28,29)17-7-8-18(19(15-17)24(26)27)21-13-9-16(10-14-21)20(25)22-11-5-6-12-22/h7-8,15-16H,3-6,9-14H2,1-2H3