[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C30H30ClNO5S MolecularWeight: 552.0809

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C30H30ClNO5S/c31-27-15-14-25(18-29(27)38(35,36)32-17-16-22-8-4-5-9-26(22)19-32)30(34)37-20-28(33)24-12-10-23(11-13-24)21-6-2-1-3-7-21/h4-5,8-15,18,21H,1-3,6-7,16-17,19-20H2