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

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C25H30N4O3S2/c1-19-7-6-8-22-23(19)26-25(33-22)28-17-15-27(16-18-28)24(30)20-9-11-21(12-10-20)34(31,32)29-13-4-2-3-5-14-29/h6-12H,2-5,13-18H2,1H3