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

Systemtic Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-benzyloxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanylsulfonyl)phenyl]-3-(4-phenylmethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-benzoxyphenyl)prop-2-en-1-one Formula: C28H29NO4S MolecularWeight: 475.59916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H29NO4S/c30-28(19-12-23-10-15-26(16-11-23)33-22-24-8-4-3-5-9-24)25-13-17-27(18-14-25)34(31,32)29-20-6-1-2-7-21-29/h3-5,8-19H,1-2,6-7,20-22H2/b19-12+