N,N-diethyl-4-methylsulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carboxamide

Systemtic Name: N,N-diethyl-4-methylsulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carboxamide Openeye Name: 3-benzyl-N,N-diethyl-4-methylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carboxamide CAS Name: N,N-diethyl-4-methylsulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carboxamide IUPAC Name: 3-benzyl-N,N-diethyl-4-methylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carboxamide Traditional Name: 3-benzyl-N,N-diethyl-4-mesyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carboxamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)NCC(N(C2)S(=O)(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)NCC(N(C2)S(=O)(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-4-24(5-2)22(26)18-11-12-21-19(14-18)16-25(29(3,27)28)20(15-23-21)13-17-9-7-6-8-10-17/h6-12,14,20,23H,4-5,13,15-16H2,1-3H3