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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methyl-N-[[4-(1-pyrrolidinyl)phenyl]methyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-pyrrolidinobenzyl)benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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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)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C25H33N3O3S/c1-20-8-13-23(32(30,31)28-16-4-2-3-5-17-28)18-24(20)25(29)26-19-21-9-11-22(12-10-21)27-14-6-7-15-27/h8-13,18H,2-7,14-17,19H2,1H3,(H,26,29)