(3S)-2-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H25ClN4O4S MolecularWeight: 476.9763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CC4=CC=CC=C4C[C@H]3C(=O)N

InChI

InChI=1S/C22H25ClN4O4S/c23-18-8-7-17(32(30,31)27-9-3-4-10-27)12-19(18)25-21(28)14-26-13-16-6-2-1-5-15(16)11-20(26)22(24)29/h1-2,5-8,12,20H,3-4,9-11,13-14H2,(H2,24,29)(H,25,28)/t20-/m0/s1