4-(4-cyclopropylcarbonylpiperazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-(4-cyclopropylcarbonylpiperazin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-N-[(2S)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(cyclopropanecarbonyl)piperazino]-N-[(1S)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide Formula: C18H26N4O6S MolecularWeight: 426.48724

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O6S/c1-13(12-28-2)19-29(26,27)15-5-6-16(17(11-15)22(24)25)20-7-9-21(10-8-20)18(23)14-3-4-14/h5-6,11,13-14,19H,3-4,7-10,12H2,1-2H3/t13-/m0/s1