4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(3-propan-2-yloxypropyl)aniline

Systemtic Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(3-propan-2-yloxypropyl)aniline Openeye Name: N-(3-isopropoxypropyl)-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: 4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitro-N-(3-propan-2-yloxypropyl)aniline IUPAC Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(3-propan-2-yloxypropyl)aniline Traditional Name: 3-isopropoxypropyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C17H28N4O5S MolecularWeight: 400.49302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H28N4O5S/c1-14(2)26-12-4-7-18-16-6-5-15(13-17(16)21(22)23)27(24,25)20-10-8-19(3)9-11-20/h5-6,13-14,18H,4,7-12H2,1-3H3