2-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanoylamino]benzamide CAS Name: 2-[[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide Traditional Name: N-benzyl-2-[4-(3-chloro-N-mesyl-4-methoxy-anilino)butanoylamino]benzamide Formula: C26H28ClN3O5S MolecularWeight: 530.03562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C26H28ClN3O5S/c1-35-24-15-14-20(17-22(24)27)30(36(2,33)34)16-8-13-25(31)29-23-12-7-6-11-21(23)26(32)28-18-19-9-4-3-5-10-19/h3-7,9-12,14-15,17H,8,13,16,18H2,1-2H3,(H,28,32)(H,29,31)