4-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide

Systemtic Name: 4-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide Openeye Name: 4-[3-(5-bromo-2-ethoxy-phenyl)prop-2-enoylamino]-N-[2-(p-tolylsulfonylamino)ethyl]piperidine-4-carboxamide CAS Name: 4-[[3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-4-piperidinecarboxamide IUPAC Name: 4-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-4-carboxamide Traditional Name: 4-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]-N-[2-(tosylamino)ethyl]isonipecotamide Formula: C26H33BrN4O5S MolecularWeight: 593.53302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2(CCNCC2)C(=O)NCCNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C=CC(=O)NC2(CCNCC2)C(=O)NCCNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H33BrN4O5S/c1-3-36-23-10-7-21(27)18-20(23)6-11-24(32)31-26(12-14-28-15-13-26)25(33)29-16-17-30-37(34,35)22-8-4-19(2)5-9-22/h4-11,18,28,30H,3,12-17H2,1-2H3,(H,29,33)(H,31,32)