2-[1-[4-(azepan-1-ylsulfonyl)-2,5-diethoxy-phenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[4-(azepan-1-ylsulfonyl)-2,5-diethoxy-phenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[4-(azepan-1-ylsulfonyl)-2,5-diethoxy-phenyl]sulfonyl-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-[4-(1-azepanylsulfonyl)-2,5-diethoxyphenyl]sulfonyl-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-[4-(azepan-1-ylsulfonyl)-2,5-diethoxyphenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[4-(azepan-1-ylsulfonyl)-2,5-diethoxy-phenyl]sulfonyl-4-piperidyl]-1,3-benzothiazole Formula: C28H37N3O6S3 MolecularWeight: 607.80488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OCC)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CCOC1=CC(=C(C=C1S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OCC)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C28H37N3O6S3/c1-3-36-23-20-27(24(37-4-2)19-26(23)39(32,33)30-15-9-5-6-10-16-30)40(34,35)31-17-13-21(14-18-31)28-29-22-11-7-8-12-25(22)38-28/h7-8,11-12,19-21H,3-6,9-10,13-18H2,1-2H3