1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-4-(2-thienylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C26H25N5O4S3 MolecularWeight: 567.7028

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1S(=O)(=O)CCC3=NC=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1S(=O)(=O)CCC3=NC=CN3)C=CC(=C2)C#N)S(=O)(=O)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N5O4S3/c27-17-21-8-9-24-22(15-21)18-30(38(34,35)26-7-4-13-36-26)23(16-20-5-2-1-3-6-20)19-31(24)37(32,33)14-10-25-28-11-12-29-25/h1-9,11-13,15,23H,10,14,16,18-19H2,(H,28,29)