4-(4-chlorophenyl)-N-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide

Systemtic Name: 4-(4-chlorophenyl)-N-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide Openeye Name: 4-(4-chlorophenyl)-N-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide CAS Name: 4-(4-chlorophenyl)-N-[4-methylsulfonyl-2-(1-pyrrolidinylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide IUPAC Name: 4-(4-chlorophenyl)-N-[4-methylsulfonyl-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide Traditional Name: 4-(4-chlorophenyl)-N-[4-mesyl-2-(pyrrolidinomethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide Formula: C27H28ClN3O4S MolecularWeight: 526.04692

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)CN5CCCC5

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)CN5CCCC5

InChI

InChI=1S/C27H28ClN3O4S/c1-36(33,34)31-18-24(17-30-14-2-3-15-30)35-26-13-12-23(16-25(26)31)29-27(32)21-6-4-19(5-7-21)20-8-10-22(28)11-9-20/h4-13,16,24H,2-3,14-15,17-18H2,1H3,(H,29,32)