4-[[(Z)-1-azanyl-2-methyl-1,4-bis(oxidanylidene)tridec-2-en-3-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 4-[[(Z)-1-azanyl-2-methyl-1,4-bis(oxidanylidene)tridec-2-en-3-yl]carbamoyl]benzenesulfonic acid Openeye Name: 4-[[(1Z)-1-(2-amino-1-methyl-2-oxo-ethylidene)-2-oxo-undecyl]carbamoyl]benzenesulfonic acid CAS Name: 4-[[[(Z)-1-amino-2-methyl-1,4-dioxotridec-2-en-3-yl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 4-[[(Z)-1-amino-2-methyl-1,4-dioxotridec-2-en-3-yl]carbamoyl]benzenesulfonic acid Traditional Name: 4-[[(Z)-3-amino-1-capryl-3-keto-2-methyl-prop-1-enyl]carbamoyl]besylic acid Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C(=C(C)C(=O)N)NC(=O)C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)/C(=C(\C)/C(=O)N)/NC(=O)C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H30N2O6S/c1-3-4-5-6-7-8-9-10-18(24)19(15(2)20(22)25)23-21(26)16-11-13-17(14-12-16)30(27,28)29/h11-14H,3-10H2,1-2H3,(H2,22,25)(H,23,26)(H,27,28,29)/b19-15-