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

Systemtic Name: N-[3-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]phenyl]cyclopropanecarboxamide Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C26H33N3O4S/c30-25(27-19-21-6-5-7-23(18-21)28-26(31)22-11-12-22)15-10-20-8-13-24(14-9-20)34(32,33)29-16-3-1-2-4-17-29/h5-9,13-14,18,22H,1-4,10-12,15-17,19H2,(H,27,30)(H,28,31)