4-[2-[6-chloranyl-3-(diphenylmethyl)indol-1-yl]ethylsulfonyl]benzoic acid

Systemtic Name: 4-[2-[6-chloranyl-3-(diphenylmethyl)indol-1-yl]ethylsulfonyl]benzoic acid Openeye Name: 4-[2-(3-benzhydryl-6-chloro-indol-1-yl)ethylsulfonyl]benzoic acid CAS Name: 4-[2-[6-chloro-3-(diphenylmethyl)-1-indolyl]ethylsulfonyl]benzoic acid IUPAC Name: 4-[2-(3-benzhydryl-6-chloroindol-1-yl)ethylsulfonyl]benzoic acid Traditional Name: 4-[2-(3-benzhydryl-6-chloro-indol-1-yl)ethylsulfonyl]benzoic acid Formula: C30H24ClNO4S MolecularWeight: 530.03386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN(C4=C3C=CC(=C4)Cl)CCS(=O)(=O)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN(C4=C3C=CC(=C4)Cl)CCS(=O)(=O)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C30H24ClNO4S/c31-24-13-16-26-27(29(21-7-3-1-4-8-21)22-9-5-2-6-10-22)20-32(28(26)19-24)17-18-37(35,36)25-14-11-23(12-15-25)30(33)34/h1-16,19-20,29H,17-18H2,(H,33,34)