6-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Openeye Name: 6-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one CAS Name: 6-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one Traditional Name: 6-[4-(benzothiophen-3-ylmethyl)piperazino]sulfonyl-4H-1,4-benzoxazin-3-one Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C21H21N3O4S2/c25-21-13-28-19-6-5-16(11-18(19)22-21)30(26,27)24-9-7-23(8-10-24)12-15-14-29-20-4-2-1-3-17(15)20/h1-6,11,14H,7-10,12-13H2,(H,22,25)