8-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]piperidin-1-yl]octane-1-sulfonic acid

Systemtic Name: 8-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]piperidin-1-yl]octane-1-sulfonic acid Openeye Name: 8-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-piperidyl]octane-1-sulfonic acid CAS Name: 8-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-piperidinyl]-1-octanesulfonic acid IUPAC Name: 8-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]piperidin-1-yl]octane-1-sulfonic acid Traditional Name: 8-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]piperidino]octane-1-sulfonic acid Formula: C21H34ClN3O5S MolecularWeight: 476.02976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CCCCCCCCS(=O)(=O)O)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CCCCCCCCS(=O)(=O)O)Cl)N

InChI

InChI=1S/C21H34ClN3O5S/c1-30-20-15-19(23)18(22)14-17(20)21(26)24-16-8-11-25(12-9-16)10-6-4-2-3-5-7-13-31(27,28)29/h14-16H,2-13,23H2,1H3,(H,24,26)(H,27,28,29)