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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-benzyloxyphenyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(3-phenylmethoxyphenyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-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=C3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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