4-[(E)-3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]-2-(indol-1-ylmethyl)-3-methoxy-N-(2-methylphenyl)sulfonyl-benzamide

Systemtic Name: 4-[(E)-3-(dimethylamino)-3-oxidanylidene-prop-1-enyl]-2-(indol-1-ylmethyl)-3-methoxy-N-(2-methylphenyl)sulfonyl-benzamide Openeye Name: 4-[(E)-3-(dimethylamino)-3-oxo-prop-1-enyl]-2-(indol-1-ylmethyl)-3-methoxy-N-(o-tolylsulfonyl)benzamide CAS Name: 4-[(E)-3-(dimethylamino)-3-oxoprop-1-enyl]-2-(1-indolylmethyl)-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide IUPAC Name: 4-[(E)-3-(dimethylamino)-3-oxoprop-1-enyl]-2-(indol-1-ylmethyl)-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide Traditional Name: 4-[(E)-3-(dimethylamino)-3-keto-prop-1-enyl]-2-(indol-1-ylmethyl)-3-methoxy-N-(o-tolylsulfonyl)benzamide Formula: C29H29N3O5S MolecularWeight: 531.62266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=C(C(=C(C=C2)C=CC(=O)N(C)C)OC)CN3C=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=C(C(=C(C=C2)/C=C/C(=O)N(C)C)OC)CN3C=CC4=CC=CC=C43

InChI

InChI=1S/C29H29N3O5S/c1-20-9-5-8-12-26(20)38(35,36)30-29(34)23-15-13-22(14-16-27(33)31(2)3)28(37-4)24(23)19-32-18-17-21-10-6-7-11-25(21)32/h5-18H,19H2,1-4H3,(H,30,34)/b16-14+