N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-[[4-(1-imidazolylmethyl)phenyl]methyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[4-(imidazol-1-ylmethyl)benzyl]-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

InChI

InChI=1S/C22H26N4O3S2/c1-17-4-9-21(30-17)31(28,29)26-11-2-3-20(15-26)22(27)24-13-18-5-7-19(8-6-18)14-25-12-10-23-16-25/h4-10,12,16,20H,2-3,11,13-15H2,1H3,(H,24,27)