N-[3-[methyl-(phenylmethyl)amino]propyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCN(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCCCN(C)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O3S2/c1-18-11-12-21(29-18)30(27,28)25-15-6-10-20(17-25)22(26)23-13-7-14-24(2)16-19-8-4-3-5-9-19/h3-5,8-9,11-12,20H,6-7,10,13-17H2,1-2H3,(H,23,26)