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

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(cyclooctylamino)-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-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-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-(cyclooctylamino)-2-keto-ethyl] ester Formula: C26H31ClN2O5S MolecularWeight: 519.05274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H31ClN2O5S/c27-23-13-12-20(26(31)34-18-25(30)28-22-10-4-2-1-3-5-11-22)16-24(23)35(32,33)29-15-14-19-8-6-7-9-21(19)17-29/h6-9,12-13,16,22H,1-5,10-11,14-15,17-18H2,(H,28,30)