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

Systemtic Name: 4-[1-(4-methylphenyl)sulfonylindol-3-yl]-N-(2-pyrrol-1-ylethyl)butanamide Openeye Name: 4-[1-(p-tolylsulfonyl)indol-3-yl]-N-(2-pyrrol-1-ylethyl)butanamide CAS Name: 4-[1-(4-methylphenyl)sulfonyl-3-indolyl]-N-[2-(1-pyrrolyl)ethyl]butanamide IUPAC Name: 4-[1-(4-methylphenyl)sulfonylindol-3-yl]-N-(2-pyrrol-1-ylethyl)butanamide Traditional Name: N-(2-pyrrol-1-ylethyl)-4-(1-tosylindol-3-yl)butyramide Formula: C25H27N3O3S MolecularWeight: 449.56518

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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)NCCN4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCCC(=O)NCCN4C=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-20-11-13-22(14-12-20)32(30,31)28-19-21(23-8-2-3-9-24(23)28)7-6-10-25(29)26-15-18-27-16-4-5-17-27/h2-5,8-9,11-14,16-17,19H,6-7,10,15,18H2,1H3,(H,26,29)