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

Systemtic Name: 2-[1-azanyl-4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-methyl-6-oxidanylidene-piperazin-2-yl]ethanoic acid Openeye Name: 2-[1-amino-4-[(6-chloro-2-naphthyl)sulfonyl]-2-methyl-6-oxo-piperazin-2-yl]acetic acid CAS Name: 2-[1-amino-4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-methyl-6-oxo-2-piperazinyl]acetic acid IUPAC Name: 2-[1-amino-4-(6-chloronaphthalen-2-yl)sulfonyl-2-methyl-6-oxopiperazin-2-yl]acetic acid Traditional Name: 2-[1-amino-4-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-2-methyl-piperazin-2-yl]acetic acid Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1N)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC(=O)O

Isomeric SMILES

CC1(CN(CC(=O)N1N)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC(=O)O

InChI

InChI=1S/C17H18ClN3O5S/c1-17(8-16(23)24)10-20(9-15(22)21(17)19)27(25,26)14-5-3-11-6-13(18)4-2-12(11)7-14/h2-7H,8-10,19H2,1H3,(H,23,24)