propan-2-yl 4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-2-carboxylate

Systemtic Name: propan-2-yl 4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-2-carboxylate Openeye Name: isopropyl 4-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperazine-2-carboxylate CAS Name: 4-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-2-piperazinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-2-carboxylate Traditional Name: 4-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazine-2-carboxylic acid isopropyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCNC(C3)C(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCNC(C3)C(=O)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H31N3O5S/c1-16(2)20-8-6-7-9-23(20)35-24-11-10-19(14-22(24)29(32)33)18(5)25(30)28-13-12-27-21(15-28)26(31)34-17(3)4/h6-11,14,16-17,21,27H,5,12-13,15H2,1-4H3