N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-morpholinosulfonylphenyl)prop-2-enamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-morpholinosulfonylphenyl)acrylamide Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C=CC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C=CC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H25N3O4S2/c1-19-2-12-24-25(18-19)35-27(29-24)21-6-8-22(9-7-21)28-26(31)13-5-20-3-10-23(11-4-20)36(32,33)30-14-16-34-17-15-30/h2-13,18H,14-17H2,1H3,(H,28,31)