(1S)-N-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-2,3-dihydro-1H-inden-1-amine

Systemtic Name: (1S)-N-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-2,3-dihydro-1H-inden-1-amine Openeye Name: (1S)-N-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]indan-1-amine CAS Name: (1S)-N-methyl-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-2,3-dihydro-1H-inden-1-amine IUPAC Name: (1S)-N-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]-2,3-dihydro-1H-inden-1-amine Traditional Name: [(1S)-indan-1-yl]-methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)C3CCC4=CC=CC=C34)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)[C@H]3CCC4=CC=CC=C34)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4S/c1-22-11-13-24(14-12-22)30(28,29)17-8-10-20(21(15-17)25(26)27)23(2)19-9-7-16-5-3-4-6-18(16)19/h3-6,8,10,15,19H,7,9,11-14H2,1-2H3/p+1/t19-/m0/s1