N-[3-(azepan-1-ylsulfonyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O4S/c31-26(14-13-22-9-4-3-5-10-22)29-19-15-23(16-20-29)27(32)28-24-11-8-12-25(21-24)35(33,34)30-17-6-1-2-7-18-30/h3-5,8-14,21,23H,1-2,6-7,15-20H2,(H,28,32)/b14-13+