N-[5-(cyclopropylcarbonylamino)-2-methyl-phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[5-(cyclopropylcarbonylamino)-2-methyl-phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[5-[[cyclopropyl(oxo)methyl]amino]-2-methylphenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[5-(cyclopropanecarbonylamino)-2-methyl-phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N3O4S2/c1-14-6-9-17(22-20(25)15-7-8-15)12-18(14)23-21(26)16-4-2-10-24(13-16)30(27,28)19-5-3-11-29-19/h3,5-6,9,11-12,15-16H,2,4,7-8,10,13H2,1H3,(H,22,25)(H,23,26)