2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-ethylphenyl)sulfonyl-pyrrolidine

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-ethylphenyl)sulfonyl-pyrrolidine Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-ethylphenyl)sulfonyl-pyrrolidine CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-ethylphenyl)sulfonylpyrrolidine IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-ethylphenyl)sulfonylpyrrolidine Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-ethylphenyl)sulfonyl-pyrrolidine Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H25NO4S/c1-2-16-6-9-18(10-7-16)27(23,24)22-12-3-5-19(22)17-8-11-20-21(15-17)26-14-4-13-25-20/h6-11,15,19H,2-5,12-14H2,1H3