4-(4-methylpiperazin-1-yl)sulfonyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-nitro-aniline

Systemtic Name: 4-(4-methylpiperazin-1-yl)sulfonyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-nitro-aniline Openeye Name: 4-(4-methylpiperazin-1-yl)sulfonyl-N-[3-[(2S)-2-methyl-1-piperidyl]propyl]-2-nitro-aniline CAS Name: 4-[(4-methyl-1-piperazinyl)sulfonyl]-N-[3-[(2S)-2-methyl-1-piperidinyl]propyl]-2-nitroaniline IUPAC Name: 4-(4-methylpiperazin-1-yl)sulfonyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-nitroaniline Traditional Name: [4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-[3-[(2S)-2-methylpiperidino]propyl]amine Formula: C20H33N5O4S MolecularWeight: 439.57212

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H33N5O4S/c1-17-6-3-4-10-23(17)11-5-9-21-19-8-7-18(16-20(19)25(26)27)30(28,29)24-14-12-22(2)13-15-24/h7-8,16-17,21H,3-6,9-15H2,1-2H3/t17-/m0/s1