3-(5-butan-2-ylsulfonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-yl)-7-butylsulfonyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-4aH-naphthalen-2-one

Systemtic Name: 3-(5-butan-2-ylsulfonyl-6-oxidanylidene-cyclohexa-2,4-dien-1-yl)-7-butylsulfonyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-4aH-naphthalen-2-one Openeye Name: 7-butylsulfonyl-3-(6-oxo-5-sec-butylsulfonyl-cyclohexa-2,4-dien-1-yl)-4-[4-[2-(1-piperidyl)ethoxy]benzoyl]-4aH-naphthalen-2-one CAS Name: 3-(5-butan-2-ylsulfonyl-6-oxo-1-cyclohexa-2,4-dienyl)-7-butylsulfonyl-4-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-4aH-naphthalen-2-one IUPAC Name: 3-(5-butan-2-ylsulfonyl-6-oxocyclohexa-2,4-dien-1-yl)-7-butylsulfonyl-4-[4-(2-piperidin-1-ylethoxy)benzoyl]-4aH-naphthalen-2-one Traditional Name: 7-butylsulfonyl-3-(6-keto-5-sec-butylsulfonyl-cyclohexa-2,4-dien-1-yl)-4-[4-(2-piperidinoethoxy)benzoyl]-4aH-naphthalen-2-one Formula: C38H45NO8S2 MolecularWeight: 707.8958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC2=CC(=O)C(=C(C2C=C1)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4)C5C=CC=C(C5=O)S(=O)(=O)C(C)CC

Isomeric SMILES

CCCCS(=O)(=O)C1=CC2=CC(=O)C(=C(C2C=C1)C(=O)C3=CC=C(C=C3)OCCN4CCCCC4)C5C=CC=C(C5=O)S(=O)(=O)C(C)CC

InChI

InChI=1S/C38H45NO8S2/c1-4-6-23-48(43,44)30-17-18-31-28(24-30)25-33(40)35(32-11-10-12-34(38(32)42)49(45,46)26(3)5-2)36(31)37(41)27-13-15-29(16-14-27)47-22-21-39-19-8-7-9-20-39/h10-18,24-26,31-32H,4-9,19-23H2,1-3H3