N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(1,3-benzothiazol-2-yl)propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(1,3-benzothiazol-2-yl)propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(1,3-benzothiazol-2-yl)propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(1,3-benzothiazol-2-yl)propanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(1,3-benzothiazol-2-yl)propionamide Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O4S2/c1-30-20-11-10-17(32(28,29)26-14-6-2-3-7-15-26)16-19(20)24-22(27)12-13-23-25-18-8-4-5-9-21(18)31-23/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3,(H,24,27)