(E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(4-morpholinosulfonylphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(4-morpholinosulfonylphenyl)prop-2-en-1-one Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H35N3O5S/c29-24(26-15-11-22(12-16-26)25(30)27-13-3-1-2-4-14-27)10-7-21-5-8-23(9-6-21)34(31,32)28-17-19-33-20-18-28/h5-10,22H,1-4,11-20H2/b10-7+