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

Systemtic Name: N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[4-[(4-ethoxyanilino)-oxomethyl]phenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: 1-mesyl-N-[4-(p-phenetylcarbamoyl)phenyl]nipecotamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O5S/c1-3-30-20-12-10-19(11-13-20)23-21(26)16-6-8-18(9-7-16)24-22(27)17-5-4-14-25(15-17)31(2,28)29/h6-13,17H,3-5,14-15H2,1-2H3,(H,23,26)(H,24,27)