2-(azepan-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)naphthalene-1,4-dione

Systemtic Name: 2-(azepan-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)naphthalene-1,4-dione Openeye Name: 2-(azepan-1-yl)-3-indolin-1-ylsulfonyl-naphthalene-1,4-dione CAS Name: 2-(1-azepanyl)-3-(2,3-dihydroindol-1-ylsulfonyl)naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)naphthalene-1,4-dione Traditional Name: 2-(azepan-1-yl)-3-indolin-1-ylsulfonyl-1,4-naphthoquinone Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C24H24N2O4S/c27-22-18-10-4-5-11-19(18)23(28)24(21(22)25-14-7-1-2-8-15-25)31(29,30)26-16-13-17-9-3-6-12-20(17)26/h3-6,9-12H,1-2,7-8,13-16H2