N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[2-[(4-ethylanilino)-oxomethyl]phenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-mesyl-nipecotamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O4S/c1-3-16-10-12-18(13-11-16)23-22(27)19-8-4-5-9-20(19)24-21(26)17-7-6-14-25(15-17)30(2,28)29/h4-5,8-13,17H,3,6-7,14-15H2,1-2H3,(H,23,27)(H,24,26)