N-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-benzothiazole-6-carboxamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H21N3O3S2/c24-20(15-8-9-18-19(12-15)27-14-21-18)22-16-6-5-7-17(13-16)28(25,26)23-10-3-1-2-4-11-23/h5-9,12-14H,1-4,10-11H2,(H,22,24)