[2-[cyclopropylmethyl(propyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxo-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-[cyclopropylmethyl(propyl)amino]-2-keto-ethyl] ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCN(CC1CC1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H30N2O5S/c1-2-13-26(16-19-10-11-19)24(28)18-32-25(29)21-8-5-9-23(15-21)33(30,31)27-14-12-20-6-3-4-7-22(20)17-27/h3-9,15,19H,2,10-14,16-18H2,1H3