4-(dipropylamino)-2-[1-methoxy-2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]cyclohexan-1-one

Systemtic Name: 4-(dipropylamino)-2-[1-methoxy-2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]cyclohexan-1-one Openeye Name: 4-(dipropylamino)-2-[1-methoxy-2-[1-(p-tolylsulfonyl)pyrrol-3-yl]ethyl]cyclohexanone CAS Name: 4-(dipropylamino)-2-[1-methoxy-2-[1-(4-methylphenyl)sulfonyl-3-pyrrolyl]ethyl]-1-cyclohexanone IUPAC Name: 4-(dipropylamino)-2-[1-methoxy-2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethyl]cyclohexan-1-one Traditional Name: 4-(dipropylamino)-2-[1-methoxy-2-(1-tosylpyrrol-3-yl)ethyl]cyclohexanone Formula: C26H38N2O4S MolecularWeight: 474.65592

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1CCC(=O)C(C1)C(CC2=CN(C=C2)S(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCCN(CCC)C1CCC(=O)C(C1)C(CC2=CN(C=C2)S(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C26H38N2O4S/c1-5-14-27(15-6-2)22-9-12-25(29)24(18-22)26(32-4)17-21-13-16-28(19-21)33(30,31)23-10-7-20(3)8-11-23/h7-8,10-11,13,16,19,22,24,26H,5-6,9,12,14-15,17-18H2,1-4H3