(2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (2-phenylthiazol-4-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (2-phenylthiazol-4-yl)methyl ester Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S2/c28-24(31-18-22-19-32-25(26-22)21-8-4-3-5-9-21)15-12-20-10-13-23(14-11-20)33(29,30)27-16-6-1-2-7-17-27/h3-5,8-15,19H,1-2,6-7,16-18H2/b15-12+