[cyclooctyl-[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenyl-methyl]indol-2-yl]carbonyl-amino] methanesulfonate

Systemtic Name: [cyclooctyl-[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenyl-methyl]indol-2-yl]carbonyl-amino] methanesulfonate Openeye Name: [cyclooctyl-[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenyl-methyl]indole-2-carbonyl]amino] methanesulfonate CAS Name: methanesulfonic acid [cyclooctyl-[[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenylmethyl]-2-indolyl]-oxomethyl]amino] ester IUPAC Name: [cyclooctyl-[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenylmethyl]indole-2-carbonyl]amino] methanesulfonate Traditional Name: methanesulfonic acid [cyclooctyl-[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenyl-methyl]indole-2-carbonyl]amino] ester Formula: C35H43N3O5S MolecularWeight: 617.79802

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2C(=C1C(=O)N(C3CCCCCCC3)OS(=O)(=O)C)C(C4=CC=CC=C4)C5=CC=C(C=C5)O

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2C(=C1C(=O)N(C3CCCCCCC3)OS(=O)(=O)C)C(C4=CC=CC=C4)C5=CC=C(C=C5)O

InChI

InChI=1S/C35H43N3O5S/c1-36(2)24-25-37-31-19-13-12-18-30(31)33(32(26-14-8-7-9-15-26)27-20-22-29(39)23-21-27)34(37)35(40)38(43-44(3,41)42)28-16-10-5-4-6-11-17-28/h7-9,12-15,18-23,28,32,39H,4-6,10-11,16-17,24-25H2,1-3H3