2-[[1-[1-(ethylamino)-1-oxidanylidene-octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[1-[1-(ethylamino)-1-oxidanylidene-octan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[1-[1-(ethylcarbamoyl)heptyl]imidazol-4-yl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[[1-[1-(ethylamino)-1-oxooctan-2-yl]-4-imidazolyl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[1-[1-(ethylamino)-1-oxooctan-2-yl]imidazol-4-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[1-[1-(ethylcarbamoyl)heptyl]imidazol-4-yl]carbamoyl]besylic acid Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NCC)N1C=C(N=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CCCCCCC(C(=O)NCC)N1C=C(N=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C20H28N4O5S/c1-3-5-6-7-11-16(20(26)21-4-2)24-13-18(22-14-24)23-19(25)15-10-8-9-12-17(15)30(27,28)29/h8-10,12-14,16H,3-7,11H2,1-2H3,(H,21,26)(H,23,25)(H,27,28,29)