4-(azepan-1-ylsulfonyl)-N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]pyridin-4-yl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[3-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]pyridin-4-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-pyridyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[3-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-4-pyridinyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]pyridin-4-yl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-pyridyl]benzamide Formula: C31H37N5O6S2 MolecularWeight: 639.78538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=NC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=NC=C3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C31H37N5O6S2/c37-30(24-9-13-26(14-10-24)43(39,40)35-19-5-1-2-6-20-35)33-28-17-18-32-23-29(28)34-31(38)25-11-15-27(16-12-25)44(41,42)36-21-7-3-4-8-22-36/h9-18,23H,1-8,19-22H2,(H,34,38)(H,32,33,37)