4-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-N-methylsulfonyl-butanamide

Systemtic Name: 4-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-N-methylsulfonyl-butanamide Openeye Name: 4-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-N-methylsulfonyl-butanamide CAS Name: 4-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)-1-piperazinyl]-N-methylsulfonylbutanamide IUPAC Name: 4-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-N-methylsulfonylbutanamide Traditional Name: N-mesyl-4-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazino]butyramide Formula: C21H27N5O4S2 MolecularWeight: 477.60018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CSC2=NC3=CC=CC=C3NC(=C12)N4CCN(CC4)CCCC(=O)NS(=O)(=O)C

Isomeric SMILES

COC1=CSC2=NC3=CC=CC=C3NC(=C12)N4CCN(CC4)CCCC(=O)NS(=O)(=O)C

InChI

InChI=1S/C21H27N5O4S2/c1-30-17-14-31-21-19(17)20(22-15-6-3-4-7-16(15)23-21)26-12-10-25(11-13-26)9-5-8-18(27)24-32(2,28)29/h3-4,6-7,14,22H,5,8-13H2,1-2H3,(H,24,27)