N-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]ethyl]-2-chloranyl-benzamide

Systemtic Name: N-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]ethyl]-2-chloranyl-benzamide Openeye Name: N-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]ethyl]-2-chloro-benzamide CAS Name: N-[2-[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]ethyl]-2-chlorobenzamide IUPAC Name: N-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]ethyl]-2-chlorobenzamide Traditional Name: N-[2-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]ethyl]-2-chloro-benzamide Formula: C24H30ClN3O4S MolecularWeight: 492.0307

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCNC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCNC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C24H30ClN3O4S/c25-22-8-4-3-7-21(22)24(30)27-16-15-26-23(29)14-11-19-9-12-20(13-10-19)33(31,32)28-17-5-1-2-6-18-28/h3-4,7-10,12-13H,1-2,5-6,11,14-18H2,(H,26,29)(H,27,30)