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

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(4-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C26H32N4O3S2 MolecularWeight: 512.68728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C26H32N4O3S2/c1-2-20-8-7-9-23-24(20)27-26(34-23)29-18-16-28(17-19-29)25(31)21-10-12-22(13-11-21)35(32,33)30-14-5-3-4-6-15-30/h7-13H,2-6,14-19H2,1H3