4-[[(5-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide

Systemtic Name: 4-[[(5-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide Openeye Name: 4-[[N-(benzenesulfonyl)-5-chloro-2-methyl-anilino]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide CAS Name: 4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[3-(1-pyrrolidinyl)propyl]benzamide IUPAC Name: 4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide Traditional Name: 4-[(N-besyl-5-chloro-2-methyl-anilino)methyl]-N-(3-pyrrolidinopropyl)benzamide Formula: C28H32ClN3O3S MolecularWeight: 526.08998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CC2=CC=C(C=C2)C(=O)NCCCN3CCCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CC2=CC=C(C=C2)C(=O)NCCCN3CCCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H32ClN3O3S/c1-22-10-15-25(29)20-27(22)32(36(34,35)26-8-3-2-4-9-26)21-23-11-13-24(14-12-23)28(33)30-16-7-19-31-17-5-6-18-31/h2-4,8-15,20H,5-7,16-19,21H2,1H3,(H,30,33)