ethyl 4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H31N3O5S/c1-2-30-22(27)24-17-15-23(16-18-24)21(26)12-9-19-7-10-20(11-8-19)31(28,29)25-13-5-3-4-6-14-25/h7-12H,2-6,13-18H2,1H3/b12-9+