4-(4-methoxythiophen-2-yl)sulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-(4-methoxythiophen-2-yl)sulfonyl-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-[(4-methoxy-2-thienyl)sulfonyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-[(4-methoxy-2-thiophenyl)sulfonyl]-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(4-methoxythiophen-2-yl)sulfonyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-[(4-methoxy-2-thienyl)sulfonyl]-1,2,3,5-tetrahydro-1,4-benzodiazepine-7-carbonitrile Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CSC(=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)NCC2CC4=CC=CC=C4

Isomeric SMILES

COC1=CSC(=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)C#N)NCC2CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S2/c1-28-20-11-22(29-15-20)30(26,27)25-14-18-9-17(12-23)7-8-21(18)24-13-19(25)10-16-5-3-2-4-6-16/h2-9,11,15,19,24H,10,13-14H2,1H3