[2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]azanium

Systemtic Name: [2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]azanium Openeye Name: [2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxo-ethyl]-methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]ammonium CAS Name: [2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]ammonium IUPAC Name: [2-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]azanium Traditional Name: [2-[(3-carbomethoxy-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-keto-ethyl]-methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]ammonium Formula: C22H30N3O5S2+ MolecularWeight: 480.6207

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

InChI

InChI=1S/C22H29N3O5S2/c1-14(15-9-11-16(12-10-15)32(23,28)29)25(2)13-19(26)24-21-20(22(27)30-3)17-7-5-4-6-8-18(17)31-21/h9-12,14H,4-8,13H2,1-3H3,(H,24,26)(H2,23,28,29)/p+1/t14-/m1/s1