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

Systemtic Name: 1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-1-[2-(1H-imidazol-2-yl)ethylsulfonyl]-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C25H29N5O4S2 MolecularWeight: 527.65886

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)S(=O)(=O)CCC4=NC=CN4

Isomeric SMILES

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)S(=O)(=O)CCC4=NC=CN4

InChI

InChI=1S/C25H29N5O4S2/c1-2-13-35(31,32)29-18-22-15-21(17-26)8-9-24(22)30(19-23(29)16-20-6-4-3-5-7-20)36(33,34)14-10-25-27-11-12-28-25/h3-9,11-12,15,23H,2,10,13-14,16,18-19H2,1H3,(H,27,28)