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

Systemtic Name: 3-(phenylmethyl)-4-piperidin-1-ylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(1-piperidylsulfonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 3-(phenylmethyl)-4-(1-piperidinylsulfonyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-piperidin-1-ylsulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-piperidinosulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)NCC2CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)NCC2CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2S/c23-15-19-9-10-22-20(13-19)17-26(29(27,28)25-11-5-2-6-12-25)21(16-24-22)14-18-7-3-1-4-8-18/h1,3-4,7-10,13,21,24H,2,5-6,11-12,14,16-17H2