5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-propan-2-yl-aniline

Systemtic Name: 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-propan-2-yl-aniline Openeye Name: 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-isopropyl-2-nitro-aniline CAS Name: 5-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-nitro-N-propan-2-ylaniline IUPAC Name: 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-propan-2-ylaniline Traditional Name: [5-[4-(4-chlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]-isopropyl-amine Formula: C19H23ClN4O4S MolecularWeight: 438.92832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H23ClN4O4S/c1-14(2)21-18-13-16(5-8-19(18)24(25)26)22-9-11-23(12-10-22)29(27,28)17-6-3-15(20)4-7-17/h3-8,13-14,21H,9-12H2,1-2H3