(2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCCCC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)N=C(S4)N5CCCCC5

InChI

InChI=1S/C25H29N3O4S2/c29-24(19-8-11-21(12-9-19)34(30,31)28-16-6-1-2-7-17-28)32-20-10-13-22-23(18-20)33-25(26-22)27-14-4-3-5-15-27/h8-13,18H,1-7,14-17H2