N-[(4-dimethylaminophenyl)methyl]-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-1-(6-pyrrolidin-1-ylsulfonyl-2-quinolyl)piperidine-3-carboxamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-1-[6-(1-pyrrolidinylsulfonyl)-2-quinolinyl]-3-piperidinecarboxamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide Traditional Name: N-[4-(dimethylamino)benzyl]-1-(6-pyrrolidinosulfonyl-2-quinolyl)nipecotamide Formula: C28H35N5O3S MolecularWeight: 521.6742

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC4=C(C=C3)C=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C28H35N5O3S/c1-31(2)24-10-7-21(8-11-24)19-29-28(34)23-6-5-15-32(20-23)27-14-9-22-18-25(12-13-26(22)30-27)37(35,36)33-16-3-4-17-33/h7-14,18,23H,3-6,15-17,19-20H2,1-2H3,(H,29,34)