N-[(4-chlorophenyl)methyl]-2-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-aniline

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-aniline Openeye Name: N-[(4-chlorophenyl)methyl]-2-nitro-4-[[4-(1-piperidyl)-1-piperidyl]sulfonyl]aniline CAS Name: N-[(4-chlorophenyl)methyl]-2-nitro-4-[[4-(1-piperidinyl)-1-piperidinyl]sulfonyl]aniline IUPAC Name: N-[(4-chlorophenyl)methyl]-2-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)sulfonylaniline Traditional Name: (4-chlorobenzyl)-[2-nitro-4-(4-piperidinopiperidino)sulfonyl-phenyl]amine Formula: C23H29ClN4O4S MolecularWeight: 493.01876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H29ClN4O4S/c24-19-6-4-18(5-7-19)17-25-22-9-8-21(16-23(22)28(29)30)33(31,32)27-14-10-20(11-15-27)26-12-2-1-3-13-26/h4-9,16,20,25H,1-3,10-15,17H2