1-(4-methylphenyl)sulfonyl-7-(phenylmethoxymethyl)-2,3,4,7-tetrahydroazepine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-7-(phenylmethoxymethyl)-2,3,4,7-tetrahydroazepine Openeye Name: 7-(benzyloxymethyl)-1-(p-tolylsulfonyl)-2,3,4,7-tetrahydroazepine CAS Name: 1-(4-methylphenyl)sulfonyl-7-(phenylmethoxymethyl)-2,3,4,7-tetrahydroazepine IUPAC Name: 1-(4-methylphenyl)sulfonyl-7-(phenylmethoxymethyl)-2,3,4,7-tetrahydroazepine Traditional Name: 7-(benzoxymethyl)-1-tosyl-2,3,4,7-tetrahydroazepine Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC=CC2COCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC=CC2COCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO3S/c1-18-11-13-21(14-12-18)26(23,24)22-15-7-3-6-10-20(22)17-25-16-19-8-4-2-5-9-19/h2,4-6,8-14,20H,3,7,15-17H2,1H3