4-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(2-hydroxyphenyl)-1-piperazinyl]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[4-(2-hydroxyphenyl)piperazino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3O)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3O)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5S/c1-14(2)20-29(27,28)15-7-8-16(18(13-15)23(25)26)21-9-11-22(12-10-21)17-5-3-4-6-19(17)24/h3-8,13-14,20,24H,9-12H2,1-2H3