4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-pentan-3-yl-aniline

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-pentan-3-yl-aniline Openeye Name: N-(1-ethylpropyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitro-N-pentan-3-ylaniline IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-pentan-3-ylaniline Traditional Name: 1-ethylpropyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C16H27N4O4S+ MolecularWeight: 371.47498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H26N4O4S/c1-4-13(5-2)17-15-7-6-14(12-16(15)20(21)22)25(23,24)19-10-8-18(3)9-11-19/h6-7,12-13,17H,4-5,8-11H2,1-3H3/p+1