4-(4-methoxyphenyl)-2-[2-methyl-4-[[2-(2-piperazin-1-ylethoxycarbonyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]butanoic acid

Systemtic Name: 4-(4-methoxyphenyl)-2-[2-methyl-4-[[2-(2-piperazin-1-ylethoxycarbonyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]butanoic acid Openeye Name: 4-(4-methoxyphenyl)-2-[2-methyl-4-[2-(2-piperazin-1-ylethoxycarbonyl)indolin-1-yl]sulfonyl-phenyl]butanoic acid CAS Name: 4-(4-methoxyphenyl)-2-[2-methyl-4-[[2-[oxo-[2-(1-piperazinyl)ethoxy]methyl]-2,3-dihydroindol-1-yl]sulfonyl]phenyl]butanoic acid IUPAC Name: 4-(4-methoxyphenyl)-2-[2-methyl-4-[[2-(2-piperazin-1-ylethoxycarbonyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]butanoic acid Traditional Name: 4-(4-methoxyphenyl)-2-[2-methyl-4-[2-(2-piperazinoethoxycarbonyl)indolin-1-yl]sulfonyl-phenyl]butyric acid Formula: C33H39N3O7S MolecularWeight: 621.74366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C(=O)OCCN4CCNCC4)C(CCC5=CC=C(C=C5)OC)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2C(CC3=CC=CC=C32)C(=O)OCCN4CCNCC4)C(CCC5=CC=C(C=C5)OC)C(=O)O

InChI

InChI=1S/C33H39N3O7S/c1-23-21-27(12-14-28(23)29(32(37)38)13-9-24-7-10-26(42-2)11-8-24)44(40,41)36-30-6-4-3-5-25(30)22-31(36)33(39)43-20-19-35-17-15-34-16-18-35/h3-8,10-12,14,21,29,31,34H,9,13,15-20,22H2,1-2H3,(H,37,38)