2-azanyl-1-(iminomethyl)-N-oxidanyl-4-(sulfonylmethyl)piperidine-4-carboxamide; but-2-ynoxybenzene

Systemtic Name: 2-azanyl-1-(iminomethyl)-N-oxidanyl-4-(sulfonylmethyl)piperidine-4-carboxamide; but-2-ynoxybenzene Openeye Name: 2-amino-1-methanimidoyl-4-(sulfonylmethyl)piperidine-4-carbohydroxamic acid; but-2-ynoxybenzene CAS Name: 2-amino-N-hydroxy-1-methanimidoyl-4-(sulfonylmethyl)-4-piperidinecarboxamide; but-2-ynoxybenzene IUPAC Name: 2-amino-N-hydroxy-1-methanimidoyl-4-(sulfonylmethyl)piperidine-4-carboxamide; but-2-ynoxybenzene Traditional Name: 2-amino-1-formimidoyl-4-(sulfonylmethyl)piperidine-4-carbohydroxamic acid; but-2-ynoxybenzene Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.C1CN(C(CC1(C=S(=O)=O)C(=O)NO)N)C=N

Isomeric SMILES

CC#CCOC1=CC=CC=C1.C1CN(C(CC1(C=S(=O)=O)C(=O)NO)N)C=N

InChI

InChI=1S/C10H10O.C8H14N4O4S/c1-2-3-9-11-10-7-5-4-6-8-10;9-5-12-2-1-8(3-6(12)10,4-17(15)16)7(13)11-14/h4-8H,9H2,1H3;4-6,9,14H,1-3,10H2,(H,11,13)