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

Systemtic Name: (3S)-N-butyl-3-[(2S)-2-cyanopyrrolidin-1-yl]carbonyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Openeye Name: (3S)-N-butyl-3-[(2S)-2-cyanopyrrolidine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide CAS Name: (3S)-N-butyl-3-[[(2S)-2-cyano-1-pyrrolidinyl]-oxomethyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide IUPAC Name: (3S)-N-butyl-3-[(2S)-2-cyanopyrrolidine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Traditional Name: (3S)-N-butyl-3-[(2S)-2-cyanopyrrolidine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3S/c1-2-3-8-22-27(25,26)17-7-6-14-11-18(21-13-15(14)10-17)19(24)23-9-4-5-16(23)12-20/h6-7,10,16,18,21-22H,2-5,8-9,11,13H2,1H3/t16-,18-/m0/s1