1-(4-tert-butylphenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-benzyl-4-(4-tert-butylphenyl)sulfonyl-1,4-diazepane Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O2S/c1-22(2,3)20-10-12-21(13-11-20)27(25,26)24-15-7-14-23(16-17-24)18-19-8-5-4-6-9-19/h4-6,8-13H,7,14-18H2,1-3H3