3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-methoxy-benzamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O4S2/c1-28-17-11-10-15(14-19(17)30(26,27)24-12-6-2-3-7-13-24)20(25)23-21-22-16-8-4-5-9-18(16)29-21/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,23,25)