2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]-N-propan-2-yl-aniline

Systemtic Name: 2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]-N-propan-2-yl-aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-isopropyl-2-nitro-aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-2-nitro-N-propan-2-ylaniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-N-propan-2-ylaniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-isopropyl-amine Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4S/c1-15(2)20-18-14-16(8-9-19(18)23(24)25)21-10-12-22(13-11-21)28(26,27)17-6-4-3-5-7-17/h3-9,14-15,20H,10-13H2,1-2H3