N-[(2S)-2-(dimethylamino)-2-thiophen-3-yl-ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: N-[(2S)-2-(dimethylamino)-2-thiophen-3-yl-ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: N-[(2S)-2-(dimethylamino)-2-(3-thienyl)ethyl]-3-(4-morpholinosulfonylphenyl)propanamide CAS Name: N-[(2S)-2-(dimethylamino)-2-(3-thiophenyl)ethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: N-[(2S)-2-(dimethylamino)-2-(3-thienyl)ethyl]-3-(4-morpholinosulfonylphenyl)propionamide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CSC=C3

Isomeric SMILES

CN(C)[C@H](CNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)C3=CSC=C3

InChI

InChI=1S/C21H29N3O4S2/c1-23(2)20(18-9-14-29-16-18)15-22-21(25)8-5-17-3-6-19(7-4-17)30(26,27)24-10-12-28-13-11-24/h3-4,6-7,9,14,16,20H,5,8,10-13,15H2,1-2H3,(H,22,25)/t20-/m1/s1