N-ethylsulfonyl-1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidine-2-carboxamide

Systemtic Name: N-ethylsulfonyl-1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidine-2-carboxamide Openeye Name: N-ethylsulfonyl-1-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperidine-2-carboxamide CAS Name: N-ethylsulfonyl-1-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-2-piperidinecarboxamide IUPAC Name: N-ethylsulfonyl-1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperidine-2-carboxamide Traditional Name: N-esyl-1-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]pipecolinamide Formula: C26H31N3O6S2 MolecularWeight: 545.67084

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(=O)C1CCCCN1C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)NC(=O)C1CCCCN1C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H31N3O6S2/c1-5-37(34,35)27-25(30)21-11-8-9-15-28(21)26(31)18(4)19-13-14-24(22(16-19)29(32)33)36-23-12-7-6-10-20(23)17(2)3/h6-7,10,12-14,16-17,21H,4-5,8-9,11,15H2,1-3H3,(H,27,30)