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

Systemtic Name: 2-(azepan-1-ylsulfonyl)-3-pyrrolidin-1-yl-naphthalene-1,4-dione Openeye Name: 2-(azepan-1-ylsulfonyl)-3-pyrrolidin-1-yl-naphthalene-1,4-dione CAS Name: 2-(1-azepanylsulfonyl)-3-(1-pyrrolidinyl)naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-ylsulfonyl)-3-pyrrolidin-1-ylnaphthalene-1,4-dione Traditional Name: 2-(azepan-1-ylsulfonyl)-3-pyrrolidino-1,4-naphthoquinone Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCC4

InChI

InChI=1S/C20H24N2O4S/c23-18-15-9-3-4-10-16(15)19(24)20(17(18)21-11-7-8-12-21)27(25,26)22-13-5-1-2-6-14-22/h3-4,9-10H,1-2,5-8,11-14H2