N-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[(2R)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methyl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)C[NH+]1CCO[C@@H](C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H31N3O4S/c1-16(2)14-22-10-11-27-18(15-22)13-21-20(24)17-6-5-7-19(12-17)28(25,26)23-8-3-4-9-23/h5-7,12,16,18H,3-4,8-11,13-15H2,1-2H3,(H,21,24)/p+1/t18-/m1/s1