5-(azepan-1-ylsulfonyl)-2-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[[4-(1-piperidyl)phenyl]methyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methyl-N-[[4-(1-piperidinyl)phenyl]methyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-piperidinobenzyl)benzamide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C26H35N3O3S/c1-21-9-14-24(33(31,32)29-17-7-2-3-8-18-29)19-25(21)26(30)27-20-22-10-12-23(13-11-22)28-15-5-4-6-16-28/h9-14,19H,2-8,15-18,20H2,1H3,(H,27,30)