4-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 4-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-morpholinosulfonyl-benzamide CAS Name: 4-methyl-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]-3-morpholinosulfonyl-benzamide Formula: C22H30N3O5S2+ MolecularWeight: 480.6207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCOCC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H29N3O5S2/c1-17-4-5-18(15-21(17)32(27,28)25-8-12-30-13-9-25)22(26)23-16-19(20-3-2-14-31-20)24-6-10-29-11-7-24/h2-5,14-15,19H,6-13,16H2,1H3,(H,23,26)/p+1/t19-/m0/s1