1-(phenylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-(phenylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-benzyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-(phenylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-benzyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-benzyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepane Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H30N2O2S/c1-17-15-18(2)20(4)22(19(17)3)27(25,26)24-12-8-11-23(13-14-24)16-21-9-6-5-7-10-21/h5-7,9-10,15H,8,11-14,16H2,1-4H3