N-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-N-(2-hydroxyethyl)-2-(4-methylphenyl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-N-(2-hydroxyethyl)-2-(4-methylphenyl)sulfonyl-piperidine-2-carboxamide Openeye Name: N-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-(2-hydroxyethyl)-2-(p-tolylsulfonyl)piperidine-2-carboxamide CAS Name: N-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-N-(2-hydroxyethyl)-2-(4-methylphenyl)sulfonyl-2-piperidinecarboxamide IUPAC Name: N-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-(2-hydroxyethyl)-2-(4-methylphenyl)sulfonylpiperidine-2-carboxamide Traditional Name: N-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-(2-hydroxyethyl)-2-tosyl-pipecolinamide Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(CCCCN2)C(=O)N(CCO)C(=O)C(CC3=CN=CN3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2(CCCCN2)C(=O)N(CCO)C(=O)C(CC3=CN=CN3)N

InChI

InChI=1S/C21H29N5O5S/c1-15-4-6-17(7-5-15)32(30,31)21(8-2-3-9-25-21)20(29)26(10-11-27)19(28)18(22)12-16-13-23-14-24-16/h4-7,13-14,18,25,27H,2-3,8-12,22H2,1H3,(H,23,24)