(3R)-N,N-dibutyl-7-cyano-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide

Systemtic Name: (3R)-N,N-dibutyl-7-cyano-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide Openeye Name: (3R)-3-benzyl-N,N-dibutyl-7-cyano-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide CAS Name: (3R)-N,N-dibutyl-7-cyano-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide IUPAC Name: (3R)-3-benzyl-N,N-dibutyl-7-cyano-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide Traditional Name: (3R)-3-benzyl-N,N-dibutyl-7-cyano-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide Formula: C25H34N4O2S MolecularWeight: 454.62806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)N1CC2=C(C=CC(=C2)C#N)NCC1CC3=CC=CC=C3

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)N1CC2=C(C=CC(=C2)C#N)NC[C@H]1CC3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2S/c1-3-5-14-28(15-6-4-2)32(30,31)29-20-23-16-22(18-26)12-13-25(23)27-19-24(29)17-21-10-8-7-9-11-21/h7-13,16,24,27H,3-6,14-15,17,19-20H2,1-2H3/t24-/m1/s1