1-(2-phenylethenylsulfonyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-(2-phenylethenylsulfonyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-(3-pyridylmethyl)-4-styrylsulfonyl-1,4-diazepane CAS Name: 1-(2-phenylethenylsulfonyl)-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-(2-phenylethenylsulfonyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(3-pyridylmethyl)-4-styrylsulfonyl-1,4-diazepane Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C=CC2=CC=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C=CC2=CC=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C19H23N3O2S/c23-25(24,15-9-18-6-2-1-3-7-18)22-12-5-11-21(13-14-22)17-19-8-4-10-20-16-19/h1-4,6-10,15-16H,5,11-14,17H2