(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(1-piperidylsulfonyl)phenyl]methylamino]propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(1-piperidinylsulfonyl)phenyl]methylamino]propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]propanamide Traditional Name: (2S)-2-[(4-piperidinosulfonylbenzyl)amino]-N-piperonyl-propionamide Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H29N3O5S/c1-17(23(27)25-15-19-7-10-21-22(13-19)31-16-30-21)24-14-18-5-8-20(9-6-18)32(28,29)26-11-3-2-4-12-26/h5-10,13,17,24H,2-4,11-12,14-16H2,1H3,(H,25,27)/t17-/m0/s1