4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(2-phenylbutyl)aniline

Systemtic Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(2-phenylbutyl)aniline Openeye Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(2-phenylbutyl)aniline CAS Name: 4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitro-N-(2-phenylbutyl)aniline IUPAC Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(2-phenylbutyl)aniline Traditional Name: [4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-(2-phenylbutyl)amine Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O4S/c1-3-17(18-7-5-4-6-8-18)16-22-20-10-9-19(15-21(20)25(26)27)30(28,29)24-13-11-23(2)12-14-24/h4-10,15,17,22H,3,11-14,16H2,1-2H3