N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-[(phenylmethyl)-prop-2-enyl-amino]ethanamide

Systemtic Name: N-(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-[(phenylmethyl)-prop-2-enyl-amino]ethanamide Openeye Name: 2-[allyl(benzyl)amino]-N-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: N-[2-ethoxy-5-(1-piperidinylsulfonyl)phenyl]-2-[(phenylmethyl)-prop-2-enylamino]acetamide IUPAC Name: 2-[benzyl(prop-2-enyl)amino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[allyl(benzyl)amino]-N-(2-ethoxy-5-piperidinosulfonyl-phenyl)acetamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN(CC=C)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CN(CC=C)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O4S/c1-3-15-27(19-21-11-7-5-8-12-21)20-25(29)26-23-18-22(13-14-24(23)32-4-2)33(30,31)28-16-9-6-10-17-28/h3,5,7-8,11-14,18H,1,4,6,9-10,15-17,19-20H2,2H3,(H,26,29)