(3R)-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: (3R)-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: (3R)-3-benzyl-4-(2-thienylsulfonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: (3R)-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: (3R)-3-benzyl-4-thiophen-2-ylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: (3R)-3-benzyl-4-(2-thienylsulfonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1)C=CC(=C2)C#N)S(=O)(=O)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1[C@H](N(CC2=C(N1)C=CC(=C2)C#N)S(=O)(=O)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S2/c22-13-17-8-9-20-18(11-17)15-24(28(25,26)21-7-4-10-27-21)19(14-23-20)12-16-5-2-1-3-6-16/h1-11,19,23H,12,14-15H2/t19-/m1/s1