N-[3-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-indol-5-yl]naphthalene-1-sulfonamide

Systemtic Name: N-[3-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-indol-5-yl]naphthalene-1-sulfonamide Openeye Name: N-[3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxo-propyl]-1H-indol-5-yl]naphthalene-1-sulfonamide CAS Name: N-[3-[(2S)-2-amino-3-[(2S)-2-cyano-1-pyrrolidinyl]-3-oxopropyl]-1H-indol-5-yl]-1-naphthalenesulfonamide IUPAC Name: N-[3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]-1H-indol-5-yl]naphthalene-1-sulfonamide Traditional Name: N-[3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidino]-3-keto-propyl]-1H-indol-5-yl]naphthalene-1-sulfonamide Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CNC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC5=CC=CC=C54)N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CNC3=C2C=C(C=C3)NS(=O)(=O)C4=CC=CC5=CC=CC=C54)N)C#N

InChI

InChI=1S/C26H25N5O3S/c27-15-20-7-4-12-31(20)26(32)23(28)13-18-16-29-24-11-10-19(14-22(18)24)30-35(33,34)25-9-3-6-17-5-1-2-8-21(17)25/h1-3,5-6,8-11,14,16,20,23,29-30H,4,7,12-13,28H2/t20-,23-/m0/s1