(3S)-2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2CC3=CC=CC=C3CC2C(=O)N)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2CC3=CC=CC=C3C[C@H]2C(=O)N)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H28N4O4S/c27-26(32)24-16-21-7-3-4-8-22(21)17-29(24)18-25(31)28-11-13-30(14-12-28)35(33,34)23-10-9-19-5-1-2-6-20(19)15-23/h1-10,15,24H,11-14,16-18H2,(H2,27,32)/t24-/m0/s1