2-azanyl-N-[3-[7-methoxy-1-(phenylsulfonyl)indol-1-ium-1-yl]-4-phenyl-butyl]ethanamide

Systemtic Name: 2-azanyl-N-[3-[7-methoxy-1-(phenylsulfonyl)indol-1-ium-1-yl]-4-phenyl-butyl]ethanamide Openeye Name: 2-amino-N-[3-[1-(benzenesulfonyl)-7-methoxy-indol-1-ium-1-yl]-4-phenyl-butyl]acetamide CAS Name: 2-amino-N-[3-[1-(benzenesulfonyl)-7-methoxy-1-indol-1-iumyl]-4-phenylbutyl]acetamide IUPAC Name: 2-amino-N-[3-[1-(benzenesulfonyl)-7-methoxyindol-1-ium-1-yl]-4-phenylbutyl]acetamide Traditional Name: 2-amino-N-[3-(1-besyl-7-methoxy-indol-1-ium-1-yl)-4-phenyl-butyl]acetamide Formula: C27H30N3O4S+ MolecularWeight: 492.6098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1[N+](C=C2)(C(CCNC(=O)CN)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1[N+](C=C2)(C(CCNC(=O)CN)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S/c1-34-25-14-8-11-22-16-18-30(27(22)25,35(32,33)24-12-6-3-7-13-24)23(15-17-29-26(31)20-28)19-21-9-4-2-5-10-21/h2-14,16,18,23H,15,17,19-20,28H2,1H3/p+1