2-azanyl-2-methyl-N-[1-[7-[(4-methylphenyl)sulfonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]propanamide

Systemtic Name: 2-azanyl-2-methyl-N-[1-[7-[(4-methylphenyl)sulfonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]propanamide Openeye Name: 2-amino-N-[1-(benzyloxymethyl)-2-oxo-2-[7-(p-tolylsulfonylamino)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-2-methyl-propanamide CAS Name: 2-amino-2-methyl-N-[1-[7-[(4-methylphenyl)sulfonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide IUPAC Name: 2-amino-2-methyl-N-[1-[7-[(4-methylphenyl)sulfonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide Traditional Name: 2-amino-N-[1-(benzoxymethyl)-2-keto-2-[7-(tosylamino)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-2-methyl-propionamide Formula: C30H36N4O5S MolecularWeight: 564.69564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C(COCC4=CC=CC=C4)NC(=O)C(C)(C)N)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C(COCC4=CC=CC=C4)NC(=O)C(C)(C)N)C=C2

InChI

InChI=1S/C30H36N4O5S/c1-21-9-13-26(14-10-21)40(37,38)33-25-12-11-23-15-16-34(18-24(23)17-25)28(35)27(32-29(36)30(2,3)31)20-39-19-22-7-5-4-6-8-22/h4-14,17,27,33H,15-16,18-20,31H2,1-3H3,(H,32,36)