[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H29N3O6S MolecularWeight: 451.53646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCNC(=O)NC(=O)C(C)OC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C21H29N3O6S/c1-3-22-21(27)23-20(26)16(2)30-19(25)13-10-17-8-11-18(12-9-17)31(28,29)24-14-6-4-5-7-15-24/h8-13,16H,3-7,14-15H2,1-2H3,(H2,22,23,26,27)/b13-10+