3-(2-azanylethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-indole-4,7-dione

Systemtic Name: 3-(2-azanylethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-indole-4,7-dione Openeye Name: 3-(2-aminoethyl)-6-methoxy-1-(p-tolylsulfonyl)indole-4,7-dione CAS Name: 3-(2-aminoethyl)-6-methoxy-1-(4-methylphenyl)sulfonylindole-4,7-dione IUPAC Name: 3-(2-aminoethyl)-6-methoxy-1-(4-methylphenyl)sulfonylindole-4,7-dione Traditional Name: 3-(2-aminoethyl)-6-methoxy-1-tosyl-indole-4,7-quinone Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C(=O)C(=CC3=O)OC)CCN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C(=O)C(=CC3=O)OC)CCN

InChI

InChI=1S/C18H18N2O5S/c1-11-3-5-13(6-4-11)26(23,24)20-10-12(7-8-19)16-14(21)9-15(25-2)18(22)17(16)20/h3-6,9-10H,7-8,19H2,1-2H3