N-butylsulfonyl-N-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]butane-1-sulfonamide

Systemtic Name: N-butylsulfonyl-N-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]butane-1-sulfonamide Openeye Name: N-butylsulfonyl-N-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-4-oxo-cyclohexa-1,5-dien-1-yl]butane-1-sulfonamide CAS Name: N-butylsulfonyl-N-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-4-oxo-1-cyclohexa-1,5-dienyl]-1-butanesulfonamide IUPAC Name: N-butylsulfonyl-N-[6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]-4-oxocyclohexa-1,5-dien-1-yl]butane-1-sulfonamide Traditional Name: N-butylsulfonyl-N-[4-keto-6-[(E)-6-(4-methoxyphenyl)hex-5-enyl]cyclohexa-1,5-dien-1-yl]butane-1-sulfonamide Formula: C27H39NO6S2 MolecularWeight: 537.73166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(C1=CCC(=O)C=C1CCCCC=CC2=CC=C(C=C2)OC)S(=O)(=O)CCCC

Isomeric SMILES

CCCCS(=O)(=O)N(C1=CCC(=O)C=C1CCCC/C=C/C2=CC=C(C=C2)OC)S(=O)(=O)CCCC

InChI

InChI=1S/C27H39NO6S2/c1-4-6-20-35(30,31)28(36(32,33)21-7-5-2)27-19-16-25(29)22-24(27)13-11-9-8-10-12-23-14-17-26(34-3)18-15-23/h10,12,14-15,17-19,22H,4-9,11,13,16,20-21H2,1-3H3/b12-10+