[5-aminocarbonyl-5-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]cyclohex-3-en-1-yl] methanesulfonate

Systemtic Name: [5-aminocarbonyl-5-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]cyclohex-3-en-1-yl] methanesulfonate Openeye Name: [5-carbamoyl-5-[8-(4-methylpiperazin-1-yl)-2-naphthyl]cyclohex-3-en-1-yl] methanesulfonate CAS Name: methanesulfonic acid [5-carbamoyl-5-[8-(4-methyl-1-piperazinyl)-2-naphthalenyl]-1-cyclohex-3-enyl] ester IUPAC Name: [5-carbamoyl-5-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]cyclohex-3-en-1-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-carbamoyl-5-[8-(4-methylpiperazino)-2-naphthyl]cyclohex-3-en-1-yl] ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC3=C2C=C(C=C3)C4(CC(CC=C4)OS(=O)(=O)C)C(=O)N

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC3=C2C=C(C=C3)C4(CC(CC=C4)OS(=O)(=O)C)C(=O)N

InChI

InChI=1S/C23H29N3O4S/c1-25-11-13-26(14-12-25)21-7-3-5-17-8-9-18(15-20(17)21)23(22(24)27)10-4-6-19(16-23)30-31(2,28)29/h3-5,7-10,15,19H,6,11-14,16H2,1-2H3,(H2,24,27)