2-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-N-[(4-piperidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)-N-[[4-(1-piperidyl)phenyl]methyl]acetamide CAS Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[[4-(1-piperidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)-N-(4-piperidinobenzyl)acetamide Formula: C28H31ClN4O6S MolecularWeight: 587.08694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3CCCCC3)C4=C(C=CC(=C4)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3CCCCC3)C4=C(C=CC(=C4)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C28H31ClN4O6S/c1-20-6-12-24(17-25(20)33(35)36)40(37,38)32(26-16-22(29)9-13-27(26)39-2)19-28(34)30-18-21-7-10-23(11-8-21)31-14-4-3-5-15-31/h6-13,16-17H,3-5,14-15,18-19H2,1-2H3,(H,30,34)