2-[(4-bromophenyl)amino]-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-bromophenyl)amino]-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromoanilino)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(4-bromoanilino)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromoanilino)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-bromoanilino)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]ethanone Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C(=O)CNC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22BrN3O5S/c21-15-1-3-16(4-2-15)22-14-20(25)23-7-9-24(10-8-23)30(26,27)17-5-6-18-19(13-17)29-12-11-28-18/h1-6,13,22H,7-12,14H2