(5-chloranyl-1-methyl-imidazol-2-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C20H24ClN3O4S MolecularWeight: 437.94026

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C20H24ClN3O4S/c1-23-18(21)14-22-19(23)15-28-20(25)11-8-16-6-9-17(10-7-16)29(26,27)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13,15H2,1H3/b11-8+