(1R)-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-1-phenyl-ethane-1,2-diamine

Systemtic Name: (1R)-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-1-phenyl-ethane-1,2-diamine Openeye Name: (1R)-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-1-phenyl-ethane-1,2-diamine CAS Name: (1R)-N,N-dimethyl-N'-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-1-phenylethane-1,2-diamine IUPAC Name: (1R)-N,N-dimethyl-N'-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]-1-phenylethane-1,2-diamine Traditional Name: dimethyl-[(1R)-2-[4-(4-methylpiperazino)sulfonyl-2-nitro-anilino]-1-phenyl-ethyl]amine Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C3=CC=CC=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC[C@@H](C3=CC=CC=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O4S/c1-23(2)21(17-7-5-4-6-8-17)16-22-19-10-9-18(15-20(19)26(27)28)31(29,30)25-13-11-24(3)12-14-25/h4-10,15,21-22H,11-14,16H2,1-3H3/t21-/m0/s1