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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

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