4-[1-(4-methylphenyl)sulfonylindol-3-yl]-N-(2-pyridin-3-ylethyl)butanamide

Systemtic Name: 4-[1-(4-methylphenyl)sulfonylindol-3-yl]-N-(2-pyridin-3-ylethyl)butanamide Openeye Name: 4-[1-(p-tolylsulfonyl)indol-3-yl]-N-[2-(3-pyridyl)ethyl]butanamide CAS Name: 4-[1-(4-methylphenyl)sulfonyl-3-indolyl]-N-[2-(3-pyridinyl)ethyl]butanamide IUPAC Name: 4-[1-(4-methylphenyl)sulfonylindol-3-yl]-N-(2-pyridin-3-ylethyl)butanamide Traditional Name: N-[2-(3-pyridyl)ethyl]-4-(1-tosylindol-3-yl)butyramide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCCC(=O)NCCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCCC(=O)NCCC4=CN=CC=C4

InChI

InChI=1S/C26H27N3O3S/c1-20-11-13-23(14-12-20)33(31,32)29-19-22(24-8-2-3-9-25(24)29)7-4-10-26(30)28-17-15-21-6-5-16-27-18-21/h2-3,5-6,8-9,11-14,16,18-19H,4,7,10,15,17H2,1H3,(H,28,30)