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

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-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-keto-1-methyl-2-ureido-ethyl) ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O6S/c1-14(18(24)21-19(20)25)28-17(23)11-8-15-6-9-16(10-7-15)29(26,27)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H3,20,21,24,25)/b11-8+