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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-phenylmethoxyphenyl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-benzyloxyphenyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(2-phenylmethoxyphenyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-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=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=CC=C3OCC4=CC=CC=C4

InChI

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