[4-(azepan-1-ylsulfonyl)phenyl]-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C24H27BrN4O3S2 MolecularWeight: 563.53018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)Br

InChI

InChI=1S/C24H27BrN4O3S2/c25-19-7-10-21-22(17-19)33-24(26-21)28-15-13-27(14-16-28)23(30)18-5-8-20(9-6-18)34(31,32)29-11-3-1-2-4-12-29/h5-10,17H,1-4,11-16H2