4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-carbamimidoyl-N-oxidanyl-piperidine-4-carboxamide

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-carbamimidoyl-N-oxidanyl-piperidine-4-carboxamide Openeye Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-carbamimidoyl-N-hydroxy-piperidine-4-carboxamide CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-carbamimidoyl-N-hydroxy-4-piperidinecarboxamide IUPAC Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-carbamimidoyl-N-hydroxypiperidine-4-carboxamide Traditional Name: N-amidino-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-hydroxy-isonipecotamide Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC2(CCNCC2)C(=O)N(C(=N)N)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC2(CCNCC2)C(=O)N(C(=N)N)O

InChI

InChI=1S/C18H24N4O5S/c1-2-3-12-27-14-4-6-15(7-5-14)28(25,26)13-18(8-10-21-11-9-18)16(23)22(24)17(19)20/h4-7,21,24H,8-13H2,1H3,(H3,19,20)