2-(2-methylidenecyclopentyl)-3-[1-(phenylsulfonyl)pyrrol-3-yl]heptan-3-ol

Systemtic Name: 2-(2-methylidenecyclopentyl)-3-[1-(phenylsulfonyl)pyrrol-3-yl]heptan-3-ol Openeye Name: 3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(2-methylenecyclopentyl)heptan-3-ol CAS Name: 3-[1-(benzenesulfonyl)-3-pyrrolyl]-2-(2-methylenecyclopentyl)-3-heptanol IUPAC Name: 3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(2-methylidenecyclopentyl)heptan-3-ol Traditional Name: 3-(1-besylpyrrol-3-yl)-2-(2-methylenecyclopentyl)heptan-3-ol Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)(C(C)C3CCCC3=C)O

Isomeric SMILES

CCCCC(C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)(C(C)C3CCCC3=C)O

InChI

InChI=1S/C23H31NO3S/c1-4-5-15-23(25,19(3)22-13-9-10-18(22)2)20-14-16-24(17-20)28(26,27)21-11-7-6-8-12-21/h6-8,11-12,14,16-17,19,22,25H,2,4-5,9-10,13,15H2,1,3H3