4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C27H23N3O5S3 MolecularWeight: 565.68362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54)S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54)S2)CC#C

InChI

InChI=1S/C27H23N3O5S3/c1-3-16-29-24-15-14-22(37(2,32)33)18-25(24)36-27(29)28-26(31)20-10-12-21(13-11-20)38(34,35)30-17-6-8-19-7-4-5-9-23(19)30/h1,4-5,7,9-15,18H,6,8,16-17H2,2H3