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

Systemtic Name: 7-cyano-N-(2-methoxyethyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide Openeye Name: 3-benzyl-7-cyano-N-(2-methoxyethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide CAS Name: 7-cyano-N-(2-methoxyethyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide IUPAC Name: 3-benzyl-7-cyano-N-(2-methoxyethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide Traditional Name: 3-benzyl-7-cyano-N-(2-methoxyethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

COCCNS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)NCC1CC3=CC=CC=C3

Isomeric SMILES

COCCNS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)NCC1CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3S/c1-27-10-9-23-28(25,26)24-15-18-11-17(13-21)7-8-20(18)22-14-19(24)12-16-5-3-2-4-6-16/h2-8,11,19,22-23H,9-10,12,14-15H2,1H3