1,3-benzothiazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O4S2/c24-21(27-15-20-22-18-7-3-4-8-19(18)28-20)16-9-11-17(12-10-16)29(25,26)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-15H2