(3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-methyl-2-thienyl)sulfonyl]-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(5-methyl-2-thiophenyl)sulfonyl]-N-[(1-phenyl-4-pyrazolyl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[(5-methyl-2-thienyl)sulfonyl]-N-[(1-phenylpyrazol-4-yl)methyl]nipecotamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O3S2/c1-16-9-10-20(29-16)30(27,28)24-11-5-6-18(15-24)21(26)22-12-17-13-23-25(14-17)19-7-3-2-4-8-19/h2-4,7-10,13-14,18H,5-6,11-12,15H2,1H3,(H,22,26)/t18-/m0/s1