N-[(1S,2S)-2-methylcyclohexyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: [(1S,2S)-2-methylcyclohexyl]-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O4S/c1-14-5-3-4-6-16(14)19-17-8-7-15(13-18(17)22(23)24)27(25,26)21-11-9-20(2)10-12-21/h7-8,13-14,16,19H,3-6,9-12H2,1-2H3/t14-,16-/m0/s1