3-[(4-methylphenyl)amino]-N-(2-oxidanyl-5-piperidin-1-ylsulfonyl-phenyl)propanamide

Systemtic Name: 3-[(4-methylphenyl)amino]-N-(2-oxidanyl-5-piperidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: N-[2-hydroxy-5-(1-piperidylsulfonyl)phenyl]-3-(4-methylanilino)propanamide CAS Name: N-[2-hydroxy-5-(1-piperidinylsulfonyl)phenyl]-3-(4-methylanilino)propanamide IUPAC Name: N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylanilino)propanamide Traditional Name: N-(2-hydroxy-5-piperidinosulfonyl-phenyl)-3-(p-toluidino)propionamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)O

Isomeric SMILES

CC1=CC=C(C=C1)NCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)O

InChI

InChI=1S/C21H27N3O4S/c1-16-5-7-17(8-6-16)22-12-11-21(26)23-19-15-18(9-10-20(19)25)29(27,28)24-13-3-2-4-14-24/h5-10,15,22,25H,2-4,11-14H2,1H3,(H,23,26)