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

Systemtic Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,4-dipropoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,4-dipropoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanylsulfonyl)phenyl]-3-(2,4-dipropoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,4-dipropoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,4-dipropoxyphenyl)prop-2-en-1-one Formula: C27H35NO5S MolecularWeight: 485.6355

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OCCC

Isomeric SMILES

CCCOC1=CC(=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OCCC

InChI

InChI=1S/C27H35NO5S/c1-3-19-32-24-13-9-23(27(21-24)33-20-4-2)12-16-26(29)22-10-14-25(15-11-22)34(30,31)28-17-7-5-6-8-18-28/h9-16,21H,3-8,17-20H2,1-2H3/b16-12+