3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(1,3-benzothiazol-2-yl)propyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(1,3-benzothiazol-2-yl)propyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(1,3-benzothiazol-2-yl)propyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[3-(1,3-benzothiazol-2-yl)propyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(1,3-benzothiazol-2-yl)propyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(1,3-benzothiazol-2-yl)propyl]propionamide Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H31N3O3S2/c29-24(26-17-7-10-25-27-22-8-3-4-9-23(22)32-25)16-13-20-11-14-21(15-12-20)33(30,31)28-18-5-1-2-6-19-28/h3-4,8-9,11-12,14-15H,1-2,5-7,10,13,16-19H2,(H,26,29)