4-(3-oxidanylpropylsulfonyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-(3-oxidanylpropylsulfonyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(3-hydroxypropylsulfonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(3-hydroxypropylsulfonyl)-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(3-hydroxypropylsulfonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(3-hydroxypropylsulfonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1)C=CC(=C2)C#N)S(=O)(=O)CCCO)CC3=CC=CC=C3

Isomeric SMILES

C1C(N(CC2=C(N1)C=CC(=C2)C#N)S(=O)(=O)CCCO)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c21-13-17-7-8-20-18(11-17)15-23(27(25,26)10-4-9-24)19(14-22-20)12-16-5-2-1-3-6-16/h1-3,5-8,11,19,22,24H,4,9-10,12,14-15H2