1-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepane

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepane Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-[(E)-styryl]sulfonyl-1,4-diazepane CAS Name: 1-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepane Traditional Name: 1-p-anisyl-4-[(E)-styryl]sulfonyl-1,4-diazepane Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-26-21-10-8-20(9-11-21)18-22-13-5-14-23(16-15-22)27(24,25)17-12-19-6-3-2-4-7-19/h2-4,6-12,17H,5,13-16,18H2,1H3/b17-12+