methyl 3-azanyl-3-[4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonylcyclohexyl]imino-propanoate

Systemtic Name: methyl 3-azanyl-3-[4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonylcyclohexyl]imino-propanoate Openeye Name: methyl 3-amino-3-[4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]cyclohexyl]imino-propanoate CAS Name: 3-amino-3-[4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-oxomethyl]cyclohexyl]iminopropanoic acid methyl ester IUPAC Name: methyl 3-amino-3-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]iminopropanoate Traditional Name: 3-amino-3-[4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]cyclohexyl]imino-propionic acid methyl ester Formula: C25H31ClN4O5S MolecularWeight: 535.05544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=NC1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)N

Isomeric SMILES

COC(=O)CC(=NC1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)N

InChI

InChI=1S/C25H31ClN4O5S/c1-35-24(31)16-23(27)28-21-7-3-17(4-8-21)25(32)29-10-12-30(13-11-29)36(33,34)22-9-5-18-14-20(26)6-2-19(18)15-22/h2,5-6,9,14-15,17,21H,3-4,7-8,10-13,16H2,1H3,(H2,27,28)