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

Systemtic Name: 7-cyano-N,N-bis(2-methoxyethyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide Openeye Name: 3-benzyl-7-cyano-N,N-bis(2-methoxyethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide CAS Name: 7-cyano-N,N-bis(2-methoxyethyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide IUPAC Name: 3-benzyl-7-cyano-N,N-bis(2-methoxyethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide Traditional Name: 3-benzyl-7-cyano-N,N-bis(2-methoxyethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-sulfonamide Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)S(=O)(=O)N1CC2=C(C=CC(=C2)C#N)NCC1CC3=CC=CC=C3

Isomeric SMILES

COCCN(CCOC)S(=O)(=O)N1CC2=C(C=CC(=C2)C#N)NCC1CC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O4S/c1-30-12-10-26(11-13-31-2)32(28,29)27-18-21-14-20(16-24)8-9-23(21)25-17-22(27)15-19-6-4-3-5-7-19/h3-9,14,22,25H,10-13,15,17-18H2,1-2H3