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

Systemtic Name: (3S)-3-[(2S)-2-cyanopyrrolidin-1-yl]carbonyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Openeye Name: (3S)-3-[(2S)-2-cyanopyrrolidine-1-carbonyl]-N-isopropyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide CAS Name: (3S)-3-[[(2S)-2-cyano-1-pyrrolidinyl]-oxomethyl]-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide IUPAC Name: (3S)-3-[(2S)-2-cyanopyrrolidine-1-carbonyl]-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Traditional Name: (3S)-3-[(2S)-2-cyanopyrrolidine-1-carbonyl]-N-isopropyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3S/c1-12(2)21-26(24,25)16-6-5-13-9-17(20-11-14(13)8-16)18(23)22-7-3-4-15(22)10-19/h5-6,8,12,15,17,20-21H,3-4,7,9,11H2,1-2H3/t15-,17-/m0/s1