7-[4-[1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-6-methoxy-indol-3-yl]carbonylphenyl]heptane-1-sulfonic acid

Systemtic Name: 7-[4-[1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-6-methoxy-indol-3-yl]carbonylphenyl]heptane-1-sulfonic acid Openeye Name: 7-[4-[1-[2-(dibutylamino)-2-oxo-ethyl]-6-methoxy-indole-3-carbonyl]phenyl]heptane-1-sulfonic acid CAS Name: 7-[4-[[1-[2-(dibutylamino)-2-oxoethyl]-6-methoxy-3-indolyl]-oxomethyl]phenyl]-1-heptanesulfonic acid IUPAC Name: 7-[4-[1-[2-(dibutylamino)-2-oxoethyl]-6-methoxyindole-3-carbonyl]phenyl]heptane-1-sulfonic acid Traditional Name: 7-[4-[1-[2-(dibutylamino)-2-keto-ethyl]-6-methoxy-indole-3-carbonyl]phenyl]heptane-1-sulfonic acid Formula: C33H46N2O6S MolecularWeight: 598.79314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CN1C=C(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)CCCCCCCS(=O)(=O)O

Isomeric SMILES

CCCCN(CCCC)C(=O)CN1C=C(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)CCCCCCCS(=O)(=O)O

InChI

InChI=1S/C33H46N2O6S/c1-4-6-20-34(21-7-5-2)32(36)25-35-24-30(29-19-18-28(41-3)23-31(29)35)33(37)27-16-14-26(15-17-27)13-11-9-8-10-12-22-42(38,39)40/h14-19,23-24H,4-13,20-22,25H2,1-3H3,(H,38,39,40)