(3S)-3-[(2S)-2-cyanopyrrolidin-1-yl]carbonyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

Systemtic Name: (3S)-3-[(2S)-2-cyanopyrrolidin-1-yl]carbonyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Openeye Name: (3S)-3-[(2S)-2-cyanopyrrolidine-1-carbonyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide CAS Name: (3S)-3-[[(2S)-2-cyano-1-pyrrolidinyl]-oxomethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide IUPAC Name: (3S)-3-[(2S)-2-cyanopyrrolidine-1-carbonyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Traditional Name: (3S)-3-[(2S)-2-cyanopyrrolidine-1-carbonyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC2=C(CC(NC2)C(=O)N3CCCC3C#N)C=C1

Isomeric SMILES

CNS(=O)(=O)C1=CC2=C(C[C@H](NC2)C(=O)N3CCC[C@H]3C#N)C=C1

InChI

InChI=1S/C16H20N4O3S/c1-18-24(22,23)14-5-4-11-8-15(19-10-12(11)7-14)16(21)20-6-2-3-13(20)9-17/h4-5,7,13,15,18-19H,2-3,6,8,10H2,1H3/t13-,15-/m0/s1