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

Systemtic Name: (3S)-3-[(2S)-2-cyanopyrrolidin-1-yl]carbonyl-N-phenethyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Openeye Name: (3S)-3-[(2S)-2-cyanopyrrolidine-1-carbonyl]-N-phenethyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide CAS Name: (3S)-3-[[(2S)-2-cyano-1-pyrrolidinyl]-oxomethyl]-N-phenethyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide IUPAC Name: (3S)-3-[(2S)-2-cyanopyrrolidine-1-carbonyl]-N-phenethyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Traditional Name: (3S)-3-[(2S)-2-cyanopyrrolidine-1-carbonyl]-N-phenethyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CC3=C(CN2)C=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2CC3=C(CN2)C=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C23H26N4O3S/c24-15-20-7-4-12-27(20)23(28)22-14-18-8-9-21(13-19(18)16-25-22)31(29,30)26-11-10-17-5-2-1-3-6-17/h1-3,5-6,8-9,13,20,22,25-26H,4,7,10-12,14,16H2/t20-,22-/m0/s1