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

Systemtic Name: (1-acetyloxy-2-methyl-propan-2-yl) 3-azanyl-3-[4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonylcyclohexyl]imino-propanoate Openeye Name: (2-acetoxy-1,1-dimethyl-ethyl) 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-acetyloxy-2-methylpropan-2-yl) ester IUPAC Name: (1-acetyloxy-2-methylpropan-2-yl) 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 (2-acetoxy-1,1-dimethyl-ethyl) ester Formula: C30H39ClN4O7S MolecularWeight: 635.17126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)(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(=O)OCC(C)(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/C30H39ClN4O7S/c1-20(36)41-19-30(2,3)42-28(37)18-27(32)33-25-9-5-21(6-10-25)29(38)34-12-14-35(15-13-34)43(39,40)26-11-7-22-16-24(31)8-4-23(22)17-26/h4,7-8,11,16-17,21,25H,5-6,9-10,12-15,18-19H2,1-3H3,(H2,32,33)