N-[(1R)-1-cyclopropylethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(1R)-1-cyclopropylethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(1R)-1-cyclopropylethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(1R)-1-cyclopropylethyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(1R)-1-cyclopropylethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: [(1R)-1-cyclopropylethyl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C16H25N4O4S+ MolecularWeight: 369.4591

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O4S/c1-12(13-3-4-13)17-15-6-5-14(11-16(15)20(21)22)25(23,24)19-9-7-18(2)8-10-19/h5-6,11-13,17H,3-4,7-10H2,1-2H3/p+1/t12-/m1/s1