2-[6-chloranyl-3-[(3S)-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-3-[(3S)-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]ethanoic acid Openeye Name: 2-[6-chloro-3-[(3S)-1-(4-isopropoxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid CAS Name: 2-[6-chloro-3-[(3S)-1-(4-propan-2-yloxyphenyl)sulfonyl-3-pyrrolidinyl]-1-indolyl]acetic acid IUPAC Name: 2-[6-chloro-3-[(3S)-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid Traditional Name: 2-[6-chloro-3-[(3S)-1-(4-isopropoxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetic acid Formula: C23H25ClN2O5S MolecularWeight: 476.973

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)C3=CN(C4=C3C=CC(=C4)Cl)CC(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H](C2)C3=CN(C4=C3C=CC(=C4)Cl)CC(=O)O

InChI

InChI=1S/C23H25ClN2O5S/c1-15(2)31-18-4-6-19(7-5-18)32(29,30)26-10-9-16(12-26)21-13-25(14-23(27)28)22-11-17(24)3-8-20(21)22/h3-8,11,13,15-16H,9-10,12,14H2,1-2H3,(H,27,28)/t16-/m1/s1