4-[(4-chlorophenyl)methylamino]-N,N-bis[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4-chlorophenyl)methylamino]-N,N-bis[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(4-chlorophenyl)methylamino]-N,N-bis[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide CAS Name: 4-[(4-chlorophenyl)methylamino]-N,N-bis[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4-chlorophenyl)methylamino]-N,N-bis[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(4-chlorobenzyl)amino]-N,N-bis[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide Formula: C23H34ClN5O4S MolecularWeight: 512.06516

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(CCCN(C)C)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCN(CCCN(C)C)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H34ClN5O4S/c1-26(2)13-5-15-28(16-6-14-27(3)4)34(32,33)21-11-12-22(23(17-21)29(30)31)25-18-19-7-9-20(24)10-8-19/h7-12,17,25H,5-6,13-16,18H2,1-4H3