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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzothiazol-2-yl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzothiazol-2-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzothiazol-2-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3-benzothiazol-2-yl)propionamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O3S2/c26-21(12-13-22-24-19-10-3-4-11-20(19)29-22)23-17-8-7-9-18(16-17)30(27,28)25-14-5-1-2-6-15-25/h3-4,7-11,16H,1-2,5-6,12-15H2,(H,23,26)