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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CN(CCN1C(=O)C2CCC(CC2)N)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

COC(=O)CC1CN(CCN1C(=O)C2CCC(CC2)N)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C24H30ClN3O5S/c1-33-23(29)14-21-15-27(10-11-28(21)24(30)16-3-7-20(26)8-4-16)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