[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)NC(=O)NC3CCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C23H31N3O6S/c27-21(25-23(29)24-19-7-3-4-8-19)17-32-22(28)14-11-18-9-12-20(13-10-18)33(30,31)26-15-5-1-2-6-16-26/h9-14,19H,1-8,15-17H2,(H2,24,25,27,29)/b14-11+