N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-[(isopropylcarbamoylamino)methyl]benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-[(isopropylcarbamoylamino)methyl]benzamide Formula: C25H34N4O4S MolecularWeight: 486.62686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H34N4O4S/c1-18(2)27-25(31)26-17-20-9-11-21(12-10-20)24(30)28-22-13-8-19(3)23(16-22)34(32,33)29-14-6-4-5-7-15-29/h8-13,16,18H,4-7,14-15,17H2,1-3H3,(H,28,30)(H2,26,27,31)