(2S)-N-(9-ethylcarbazol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(9-ethylcarbazol-3-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(9-ethylcarbazol-3-yl)propanamide CAS Name: (2S)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(9-ethyl-3-carbazolyl)propanamide IUPAC Name: (2S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(9-ethylcarbazol-3-yl)propanamide Traditional Name: (2S)-2-(4-besylpiperazin-1-ium-1-yl)-N-(9-ethylcarbazol-3-yl)propionamide Formula: C27H31N4O3S+ MolecularWeight: 491.62504

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)[C@H](C)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C51

InChI

InChI=1S/C27H30N4O3S/c1-3-31-25-12-8-7-11-23(25)24-19-21(13-14-26(24)31)28-27(32)20(2)29-15-17-30(18-16-29)35(33,34)22-9-5-4-6-10-22/h4-14,19-20H,3,15-18H2,1-2H3,(H,28,32)/p+1/t20-/m0/s1