N-[(4-aminocarbonylphenyl)methyl]-4-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-piperidine-4-carboxamide hydrochloride

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-4-(4-but-2-ynoxyphenyl)sulfonyl-N-oxidanyl-piperidine-4-carboxamide hydrochloride Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-[(4-carbamoylphenyl)methyl]-N-hydroxy-piperidine-4-carboxamide hydrochloride CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-[(4-carbamoylphenyl)methyl]-N-hydroxy-4-piperidinecarboxamide hydrochloride IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-[(4-carbamoylphenyl)methyl]-N-hydroxypiperidine-4-carboxamide hydrochloride Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-N-(4-carbamoylbenzyl)-N-hydroxy-isonipecotamide hydrochloride Formula: C24H28ClN3O6S MolecularWeight: 522.01362

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCNCC2)C(=O)N(CC3=CC=C(C=C3)C(=O)N)O.Cl

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCNCC2)C(=O)N(CC3=CC=C(C=C3)C(=O)N)O.Cl

InChI

InChI=1S/C24H27N3O6S.ClH/c1-2-3-16-33-20-8-10-21(11-9-20)34(31,32)24(12-14-26-15-13-24)23(29)27(30)17-18-4-6-19(7-5-18)22(25)28;/h4-11,26,30H,12-17H2,1H3,(H2,25,28);1H