N-[3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]phenyl]cyclopropanecarboxamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC(=C3)NC(=O)C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC(=C3)NC(=O)C4CC4

InChI

InChI=1S/C25H31N3O4S/c29-24(26-21-6-5-7-22(18-21)27-25(30)20-11-12-20)15-10-19-8-13-23(14-9-19)33(31,32)28-16-3-1-2-4-17-28/h5-9,13-14,18,20H,1-4,10-12,15-17H2,(H,26,29)(H,27,30)