N-[(2-cyanophenyl)methyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide

Systemtic Name: N-[(2-cyanophenyl)methyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide Openeye Name: N-[(2-cyanophenyl)methyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide CAS Name: N-[(2-cyanophenyl)methyl]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-thiophenesulfonamide IUPAC Name: N-[(2-cyanophenyl)methyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide Traditional Name: N-(2-cyanobenzyl)-N-(3-pyrrolidinosulfonylphenyl)thiophene-2-sulfonamide Formula: C22H21N3O4S3 MolecularWeight: 487.61484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N(CC3=CC=CC=C3C#N)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N(CC3=CC=CC=C3C#N)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H21N3O4S3/c23-16-18-7-1-2-8-19(18)17-25(32(28,29)22-11-6-14-30-22)20-9-5-10-21(15-20)31(26,27)24-12-3-4-13-24/h1-2,5-11,14-15H,3-4,12-13,17H2