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

Systemtic Name: sodium 2-[6-chloranyl-3-[(3S)-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]ethanoate Openeye Name: sodium 2-[6-chloro-3-[(3S)-1-(4-isopropoxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetate CAS Name: sodium 2-[6-chloro-3-[(3S)-1-(4-propan-2-yloxyphenyl)sulfonyl-3-pyrrolidinyl]-1-indolyl]acetate IUPAC Name: sodium 2-[6-chloro-3-[(3S)-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetate Traditional Name: sodium 2-[6-chloro-3-[(3S)-1-(4-isopropoxyphenyl)sulfonylpyrrolidin-3-yl]indol-1-yl]acetate Formula: C23H24ClN2NaO5S MolecularWeight: 498.95483

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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-].[Na+]

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-].[Na+]

InChI

InChI=1S/C23H25ClN2O5S.Na/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);/q;+1/p-1/t16-;/m1./s1