N-(2-dimethylaminoethyl)-3-nitro-4-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-nitro-4-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-3-nitro-4-[[2-(1-piperidylmethyl)phenyl]methylamino]benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-3-nitro-4-[[2-(1-piperidinylmethyl)phenyl]methylamino]benzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-3-nitro-4-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]benzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-3-nitro-4-[[2-(piperidinomethyl)benzyl]amino]benzenesulfonamide Formula: C23H33N5O4S MolecularWeight: 475.60422

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2CN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=CC=C2CN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H33N5O4S/c1-26(2)15-12-25-33(31,32)21-10-11-22(23(16-21)28(29)30)24-17-19-8-4-5-9-20(19)18-27-13-6-3-7-14-27/h4-5,8-11,16,24-25H,3,6-7,12-15,17-18H2,1-2H3