4-(1,3-dithiolan-2-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)benzamide Formula: C22H26N2O4S3 MolecularWeight: 478.64784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C3SCCS3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C3SCCS3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H26N2O4S3/c1-2-28-19-10-9-18(15-20(19)31(26,27)24-11-3-4-12-24)23-21(25)16-5-7-17(8-6-16)22-29-13-14-30-22/h5-10,15,22H,2-4,11-14H2,1H3,(H,23,25)