2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-piperazin-2-yl]ethanoic acid Openeye Name: 2-[1-(tert-butoxycarbonylamino)-4-[(6-chloro-2-naphthyl)sulfonyl]-2-methyl-6-oxo-piperazin-2-yl]acetic acid CAS Name: 2-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxo-2-piperazinyl]acetic acid IUPAC Name: 2-[4-(6-chloronaphthalen-2-yl)sulfonyl-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperazin-2-yl]acetic acid Traditional Name: 2-[1-(tert-butoxycarbonylamino)-4-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-2-methyl-piperazin-2-yl]acetic acid Formula: C22H26ClN3O7S MolecularWeight: 511.97574

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1NC(=O)OC(C)(C)C)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC(=O)O

Isomeric SMILES

CC1(CN(CC(=O)N1NC(=O)OC(C)(C)C)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC(=O)O

InChI

InChI=1S/C22H26ClN3O7S/c1-21(2,3)33-20(30)24-26-18(27)12-25(13-22(26,4)11-19(28)29)34(31,32)17-8-6-14-9-16(23)7-5-15(14)10-17/h5-10H,11-13H2,1-4H3,(H,24,30)(H,28,29)