(3S)-2-[2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)N)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN2CC3=CC=CC=C3C[C@H]2C(=O)N)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H30N4O5S/c1-2-33-21-10-9-19(14-22(21)34(31,32)28-11-5-6-12-28)26-23(29)16-27-15-18-8-4-3-7-17(18)13-20(27)24(25)30/h3-4,7-10,14,20H,2,5-6,11-13,15-16H2,1H3,(H2,25,30)(H,26,29)/t20-/m0/s1