N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,3-dithiolan-2-yl)benzamide Formula: C22H26N2O3S3 MolecularWeight: 462.64844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H26N2O3S3/c25-21(17-8-10-18(11-9-17)22-28-14-15-29-22)23-19-6-5-7-20(16-19)30(26,27)24-12-3-1-2-4-13-24/h5-11,16,22H,1-4,12-15H2,(H,23,25)