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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(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

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