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

Systemtic Name: [[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenyl-methyl]indol-2-yl]carbonyl-propyl-amino] methanesulfonate Openeye Name: [[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenyl-methyl]indole-2-carbonyl]-propyl-amino] methanesulfonate CAS Name: methanesulfonic acid [[[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenylmethyl]-2-indolyl]-oxomethyl]-propylamino] ester IUPAC Name: [[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenylmethyl]indole-2-carbonyl]-propylamino] methanesulfonate Traditional Name: methanesulfonic acid [[1-(2-dimethylaminoethyl)-3-[(4-hydroxyphenyl)-phenyl-methyl]indole-2-carbonyl]-propyl-amino] ester Formula: C30H35N3O5S MolecularWeight: 549.681

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)C1=C(C2=CC=CC=C2N1CCN(C)C)C(C3=CC=CC=C3)C4=CC=C(C=C4)O)OS(=O)(=O)C

Isomeric SMILES

CCCN(C(=O)C1=C(C2=CC=CC=C2N1CCN(C)C)C(C3=CC=CC=C3)C4=CC=C(C=C4)O)OS(=O)(=O)C

InChI

InChI=1S/C30H35N3O5S/c1-5-19-33(38-39(4,36)37)30(35)29-28(25-13-9-10-14-26(25)32(29)21-20-31(2)3)27(22-11-7-6-8-12-22)23-15-17-24(34)18-16-23/h6-18,27,34H,5,19-21H2,1-4H3