1-(4-butoxyphenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-(4-butoxyphenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-(4-butoxyphenyl)sulfonyl-1,4-diazepane CAS Name: 1-(4-butoxyphenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-(4-butoxyphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-benzyl-4-(4-butoxyphenyl)sulfonyl-1,4-diazepane Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O3S/c1-2-3-18-27-21-10-12-22(13-11-21)28(25,26)24-15-7-14-23(16-17-24)19-20-8-5-4-6-9-20/h4-6,8-13H,2-3,7,14-19H2,1H3