7-[[(2S)-2-azanylpropanoyl]amino]-2-(4-methoxyphenyl)sulfonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 7-[[(2S)-2-azanylpropanoyl]amino]-2-(4-methoxyphenyl)sulfonyl-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (2S)-2-amino-N-[3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: 7-[[(2S)-2-amino-1-oxopropyl]amino]-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 7-[[(2S)-2-aminopropanoyl]amino]-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (2S)-2-amino-N-[3-(hydroxycarbamoyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]propionamide Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)NO)C=C1)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)NO)C=C1)N

InChI

InChI=1S/C20H24N4O6S/c1-12(21)19(25)22-15-4-3-13-10-18(20(26)23-27)24(11-14(13)9-15)31(28,29)17-7-5-16(30-2)6-8-17/h3-9,12,18,27H,10-11,21H2,1-2H3,(H,22,25)(H,23,26)/t12-,18?/m0/s1