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

Systemtic Name: 2-(azepan-1-ylsulfonyl)-3-(dipropylamino)naphthalene-1,4-dione Openeye Name: 2-(azepan-1-ylsulfonyl)-3-(dipropylamino)naphthalene-1,4-dione CAS Name: 2-(1-azepanylsulfonyl)-3-(dipropylamino)naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-ylsulfonyl)-3-(dipropylamino)naphthalene-1,4-dione Traditional Name: 2-(azepan-1-ylsulfonyl)-3-(dipropylamino)-1,4-naphthoquinone Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCN(CCC)C1=C(C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H30N2O4S/c1-3-13-23(14-4-2)19-20(25)17-11-7-8-12-18(17)21(26)22(19)29(27,28)24-15-9-5-6-10-16-24/h7-8,11-12H,3-6,9-10,13-16H2,1-2H3