tert-butyl (E)-3-[2-(3-methoxyphenyl)carbonyl-1-(phenylsulfonyl)indol-5-yl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[2-(3-methoxyphenyl)carbonyl-1-(phenylsulfonyl)indol-5-yl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[1-(benzenesulfonyl)-2-(3-methoxybenzoyl)indol-5-yl]prop-2-enoate CAS Name: (E)-3-[1-(benzenesulfonyl)-2-[(3-methoxyphenyl)-oxomethyl]-5-indolyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[1-(benzenesulfonyl)-2-(3-methoxybenzoyl)indol-5-yl]prop-2-enoate Traditional Name: (E)-3-(1-besyl-2-m-anisoyl-indol-5-yl)acrylic acid tert-butyl ester Formula: C29H27NO6S MolecularWeight: 517.59278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC1=CC2=C(C=C1)N(C(=C2)C(=O)C3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C1=CC2=C(C=C1)N(C(=C2)C(=O)C3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H27NO6S/c1-29(2,3)36-27(31)16-14-20-13-15-25-22(17-20)19-26(28(32)21-9-8-10-23(18-21)35-4)30(25)37(33,34)24-11-6-5-7-12-24/h5-19H,1-4H3/b16-14+