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

Systemtic Name: [1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: [1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid [1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid [2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl] ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)OC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=CC=C1)OC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H29N3O6S/c1-19(24(30)27-25(31)26-21-9-5-4-6-10-21)34-23(29)16-13-20-11-14-22(15-12-20)35(32,33)28-17-7-2-3-8-18-28/h4-6,9-16,19H,2-3,7-8,17-18H2,1H3,(H2,26,27,30,31)/b16-13+