methyl 2-[4-(4-azanylcyclohexyl)carbonyl-1-(6-chloranylnaphthalen-2-yl)sulfonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[4-(4-azanylcyclohexyl)carbonyl-1-(6-chloranylnaphthalen-2-yl)sulfonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[4-(4-aminocyclohexanecarbonyl)-1-[(6-chloro-2-naphthyl)sulfonyl]piperazin-2-yl]acetate CAS Name: 2-[4-[(4-aminocyclohexyl)-oxomethyl]-1-[(6-chloro-2-naphthalenyl)sulfonyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-aminocyclohexanecarbonyl)-1-(6-chloronaphthalen-2-yl)sulfonylpiperazin-2-yl]acetate Traditional Name: 2-[4-(4-aminocyclohexanecarbonyl)-1-[(6-chloro-2-naphthyl)sulfonyl]piperazin-2-yl]acetic acid methyl ester Formula: C24H30ClN3O5S MolecularWeight: 508.0301

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)C4CCC(CC4)N

Isomeric SMILES

COC(=O)CC1CN(CCN1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)C4CCC(CC4)N

InChI

InChI=1S/C24H30ClN3O5S/c1-33-23(29)14-21-15-27(24(30)16-3-7-20(26)8-4-16)10-11-28(21)34(31,32)22-9-5-17-12-19(25)6-2-18(17)13-22/h2,5-6,9,12-13,16,20-21H,3-4,7-8,10-11,14-15,26H2,1H3