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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C27H35NO5S/c1-21(2)16-19-33-26-15-9-22(20-27(26)32-3)8-14-25(29)23-10-12-24(13-11-23)34(30,31)28-17-6-4-5-7-18-28/h8-15,20-21H,4-7,16-19H2,1-3H3