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

Systemtic Name: 1-acetyloxyethyl 3-azanyl-3-[4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonylcyclohexyl]imino-propanoate Openeye Name: 1-acetoxyethyl 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 1-acetyloxyethyl ester IUPAC Name: 1-acetyloxyethyl 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 1-acetoxyethyl ester Formula: C28H35ClN4O7S MolecularWeight: 607.1181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(OC(=O)C)OC(=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/C28H35ClN4O7S/c1-18(34)39-19(2)40-27(35)17-26(30)31-24-8-4-20(5-9-24)28(36)32-11-13-33(14-12-32)41(37,38)25-10-6-21-15-23(29)7-3-22(21)16-25/h3,6-7,10,15-16,19-20,24H,4-5,8-9,11-14,17H2,1-2H3,(H2,30,31)