methyl 2-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]-2-methyl-propanoate Openeye Name: methyl 2-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]-2-methyl-propanoate CAS Name: 2-[[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]amino]-2-methylpropanoate Traditional Name: 2-[[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]amino]-2-methyl-propionic acid methyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S/c1-20(2,19(24)27-3)21-18(23)13-10-16-8-11-17(12-9-16)28(25,26)22-14-6-4-5-7-15-22/h8-13H,4-7,14-15H2,1-3H3,(H,21,23)/b13-10+