(E)-1-(azepan-1-yl)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(azepan-1-yl)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-en-1-one Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N2O3S/c24-21(22-15-5-1-2-6-16-22)14-11-19-9-12-20(13-10-19)27(25,26)23-17-7-3-4-8-18-23/h9-14H,1-8,15-18H2/b14-11+