N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C21H27N3O6S3 MolecularWeight: 513.65058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H27N3O6S3/c1-30-19-9-8-17(32(26,27)23-10-2-3-11-23)14-18(19)22-21(25)16-6-4-12-24(15-16)33(28,29)20-7-5-13-31-20/h5,7-9,13-14,16H,2-4,6,10-12,15H2,1H3,(H,22,25)